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77053-56-6 | Benzeneacetic acid, a-bromo-4-methoxy-, ethyl ester
CAS No: 77053-56-6 Catalog No: AG00572Z MDL No:
Product Description
Catalog Number:
AG00572Z
Chemical Name:
Benzeneacetic acid, a-bromo-4-methoxy-, ethyl ester
CAS Number:
77053-56-6
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
IUPAC Name:
ethyl 2-bromo-2-(4-methoxyphenyl)acetate
InChI:
InChI=1S/C11H13BrO3/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7,10H,3H2,1-2H3
InChI Key:
FHWIEWRPKMWFTE-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1Br)OC
Properties
Complexity:
200
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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