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2-(2-bromophenyl)butanedioic acid

2-(2-bromophenyl)butanedioic acid

CAS: 20608-82-6

Formula: C10H9BrO4

SMILES: OC(=O)CC(C(O)=O)C1=CC=CC=C1Br

IUPAC: 2-(2-bromophenyl)butanedioic acid

InChI: InChI=1/C10H9BrO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15)

Composition: C (43.98%), H (3.32%), Br (29.26%), O (23.43%)

Molar Mass: 273.082

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 271.968422
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZYVUHPNGZXZEFZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.83
Topological Polar Surface Area 74.6
Polarizability 21.76
Ring Count 1
Rotatable Bond Count 4

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