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14062-29-4 | Benzeneacetic acid, 3-chloro-, ethyl ester
CAS No: 14062-29-4 Catalog No: AG001CLB MDL No:MFCD07787498
Product Description
Catalog Number:
AG001CLB
Chemical Name:
Benzeneacetic acid, 3-chloro-, ethyl ester
CAS Number:
14062-29-4
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD07787498
IUPAC Name:
ethyl 2-(3-chlorophenyl)acetate
InChI:
InChI=1S/C10H11ClO2/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3
InChI Key:
SLNHJHHDMDGTGB-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cccc(c1)Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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