4-bromonaphthalene-1-carboxylic acid

4-bromonaphthalene-1-carboxylic acid

CAS: 16650-55-8

Formula: C11H7BrO2

SMILES: OC(=O)C1=C2C=CC=CC2=C(Br)C=C1

IUPAC: 4-bromonaphthalene-1-carboxylic acid

InChI: InChI=1S/C11H7BrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)

Composition: C (52.62%), H (2.81%), Br (31.82%), O (12.74%)

Molar Mass: 251.079

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	249.962942
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FIJIPZQZVLCOMB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.39
Topological Polar Surface Area	37.3
Polarizability	22.88
Ring Count	2
Rotatable Bond Count	1

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