3-amino-2-bromobenzoic acid

3-amino-2-bromobenzoic acid

CAS: 168899-61-4

Formula: C7H6BrNO2

SMILES: NC1=C(Br)C(=CC=C1)C(O)=O

IUPAC: 3-amino-2-bromobenzoic acid

InChI: InChI=1S/C7H6BrNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)

Composition: C (38.92%), H (2.80%), Br (36.99%), N (6.48%), O (14.81%)

Molar Mass: 216.034

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.958191
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PAGROCHVTXMVTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.64
Topological Polar Surface Area	63.32
Polarizability	16.78
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	168899-61-4		$9.32-$218.39$9.32$19.67$64.17$126.27$218.39

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