2-bromo-5-formylbenzoic acid

2-bromo-5-formylbenzoic acid

CAS: 1289007-84-6

Formula: C8H5BrO3

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

IUPAC: 2-bromo-5-formylbenzoic acid

InChI: InChI=1S/C8H5BrO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4H,(H,11,12)

Composition: C (41.95%), H (2.20%), Br (34.89%), O (20.96%)

Molar Mass: 229.029

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.942207
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KXPWKTRXWVQFGM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.52
Topological Polar Surface Area	54.37
Polarizability	17.57
Ring Count	1
Rotatable Bond Count	2

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