2,3-dibromo-3-(4-chlorophenyl)propanoic acid

2,3-dibromo-3-(4-chlorophenyl)propanoic acid

CAS: 24653-99-4

Formula: C9H7Br2ClO2

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

IUPAC: 2,3-dibromo-3-(4-chlorophenyl)propanoic acid

InChI: InChI=1/C9H7Br2ClO2/c10-7(8(11)9(13)14)5-1-3-6(12)4-2-5/h1-4,7-8H,(H,13,14)

Composition: C (31.57%), H (2.06%), Br (46.67%), Cl (10.35%), O (9.34%)

Molar Mass: 342.41

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	339.850133
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VVMCVHQTBODLRQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.54
Topological Polar Surface Area	37.3
Polarizability	24.15
Ring Count	1
Rotatable Bond Count	3

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