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14062-30-7 | Benzeneacetic acid, 3-bromo-, ethyl ester
CAS No: 14062-30-7 Catalog No: AG001CLA MDL No:MFCD09953130
Product Description
Catalog Number:
AG001CLA
Chemical Name:
Benzeneacetic acid, 3-bromo-, ethyl ester
CAS Number:
14062-30-7
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD09953130
IUPAC Name:
ethyl 2-(3-bromophenyl)acetate
InChI:
InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3
InChI Key:
CAERSDJFKGMKLY-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cccc(c1)Br
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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