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100125-96-0 | Benzeneacetic acid, 3-bromo-4-methoxy-, ethyl ester
CAS No: 100125-96-0 Catalog No: AG00010M MDL No:MFCD16293389
Product Description
Catalog Number:
AG00010M
Chemical Name:
Benzeneacetic acid, 3-bromo-4-methoxy-, ethyl ester
CAS Number:
100125-96-0
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD16293389
IUPAC Name:
ethyl 2-(3-bromo-4-methoxyphenyl)acetate
InChI:
InChI=1S/C11H13BrO3/c1-3-15-11(13)7-8-4-5-10(14-2)9(12)6-8/h4-6H,3,7H2,1-2H3
InChI Key:
YMZZEMPQYJBPFT-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(c(c1)Br)OC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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