2-(3-bromophenyl)butanedioic acid

2-(3-bromophenyl)butanedioic acid

CAS: 69006-89-9

Formula: C10H9BrO4

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

IUPAC: 2-(3-bromophenyl)butanedioic acid

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