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19725-82-7 | Benzeneacetic acid, 4-bromo-2-carboxy-
CAS No: 19725-82-7 Catalog No: AG002AP2 MDL No:MFCD11877995
Product Description
Catalog Number:
AG002AP2
Chemical Name:
Benzeneacetic acid, 4-bromo-2-carboxy-
CAS Number:
19725-82-7
Molecular Formula:
C9H7BrO4
Molecular Weight:
259.0535
MDL Number:
MFCD11877995
IUPAC Name:
5-bromo-2-(carboxymethyl)benzoic acid
InChI:
InChI=1S/C9H7BrO4/c10-6-2-1-5(3-8(11)12)7(4-6)9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChI Key:
VFYONOBJKYTLNC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1C(=O)O)Br
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.055g/mol
Monoisotopic Mass:
257.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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