3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid 5325-39-3 CAS NO.5325-39-3

Min.Order: 1 Gram
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Product Details

Keywords

3-(3,5-dibromo-4-hydroxy-phenyl)-2-phenyl-prop-2-enoic acid
5325-39-3
98%

Quick Details

ProName: 3-(3,5-dibromo-4-hydroxyphenyl)-2-phen...
CasNo: 5325-39-3
Molecular Formula: C15H10Br2O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
【CAS Registry number】
5325-39-3
【Synonyms】
AC1L5694
【Molecular Formula】
C15H10Br2O3 (Products with the same molecular formula)
【Molecular Weight】
398.0461
【Inchi】
InChI=1/C15H10Br2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)
【Canonical SMILES】
C1=CC=C(C=C1)C(=CC2=CC(=C(C(=C2)Br)O)Br)C(=O)O
【MOL File】
5325-39-3.mol
Chemical and Physical Properties
【Density】
1.826g/cm3
【Boiling Point】
417.8°C at 760 mmHg
【Refractive Index】
1.716
【Flash Point】
206.5°C
【Computed Properties】
Molecular Weight:398.0461 [g/mol]
Molecular Formula:C15H10Br2O3
XLogP3-AA:4.5
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:397.897623
MonoIsotopic Mass:395.899669
Topological Polar Surface Area:57.5
Heavy Atom Count:20
Formal Charge:0
Complexity:365
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:3

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