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17478-44-3 | Benzeneacetic acid, α-bromo-4-methoxy-
CAS No: 17478-44-3 Catalog No: AG001ZYC MDL No:
Product Description
Catalog Number:
AG001ZYC
Chemical Name:
Benzeneacetic acid, α-bromo-4-methoxy-
CAS Number:
17478-44-3
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
IUPAC Name:
2-bromo-2-(4-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H9BrO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)
InChI Key:
QHYJNYKGUSUPMN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(=O)O)Br
NSC Number:
132001
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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