4-(2-bromoacetyl)benzoic acid

4-(2-bromoacetyl)benzoic acid

CAS: 20099-90-5

Formula: C9H7BrO3

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

IUPAC: 4-(2-bromoacetyl)benzoic acid

InChI: InChI=1S/C9H7BrO3/c10-5-8(11)6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,12,13)

Composition: C (44.47%), H (2.90%), Br (32.87%), O (19.75%)

Molar Mass: 243.056

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.957857
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZMHLKKVZTJBBHK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.45
Topological Polar Surface Area	54.37
Polarizability	19.28
Ring Count	1
Rotatable Bond Count	3

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