- Product Details
Keywords
- tert-butyl 3-(4-chlorophenyl)-3-hydroxy-butanoate
- 5292-16-0
- 98%
Quick Details
- ProName: tert-butyl 3-(4-chlorophenyl)-3-hydrox...
- CasNo: 5292-16-0
- Molecular Formula: C14H19ClO3
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: as 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
Superiority
Details
Identification and Related Records
【Name】
tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate
【CAS Registry number】
5292-16-0
【Synonyms】
tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate
NSC8351
AC1L5BRY
AC1Q3NEQ
NSC-8351
AR-1L6017
【Molecular Formula】
C14H19ClO3 (Products with the same molecular formula)
【Molecular Weight】
270.7519
【Inchi】
InChI=1/C14H19ClO3/c1-13(2,3)18-12(16)9-14(4,17)10-5-7-11(15)8-6-10/h5-8,17H,9H2,1-4H3
【Canonical SMILES】
CC(C)(C)OC(=O)CC(C)(C1=CC=C(C=C1)Cl)O
【MOL File】
5292-16-0.mol
Chemical and Physical Properties
【Density】
1.151g/cm3
【Boiling Point】
374.5°C at 760 mmHg
【Refractive Index】
1.518
【Flash Point】
180.3°C
【Computed Properties】
Molecular Weight:270.75186 [g/mol]
Molecular Formula:C14H19ClO3
XLogP3-AA:2.7
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:270.102272
MonoIsotopic Mass:270.102272
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Formal Charge:0
Complexity:290
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:153