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89359-14-8 | Butanedioic acid, (4-bromophenyl)-, (S)-
CAS No: 89359-14-8 Catalog No: AG003X5Q MDL No:
Product Description
Catalog Number:
AG003X5Q
Chemical Name:
Butanedioic acid, (4-bromophenyl)-, (S)-
CAS Number:
89359-14-8
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
IUPAC Name:
2-(4-bromophenyl)butanedioic acid
InChI:
InChI=1S/C10H9BrO4/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
InChI Key:
OVOOMMVRUQGTIQ-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](c1ccc(cc1)Br)CC(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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