3-amino-2,6-dibromobenzoic acid

3-amino-2,6-dibromobenzoic acid

CAS: 1687856-05-8

Formula: C7H5Br2NO2

SMILES: NC1=CC=C(Br)C(C(O)=O)=C1Br

IUPAC: 3-amino-2,6-dibromobenzoic acid

InChI: InChI=1S/C7H5Br2NO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12)

Composition: C (28.51%), H (1.71%), Br (54.19%), N (4.75%), O (10.85%)

Molar Mass: 294.93

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.868704
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NDBRRWMEBDAYRG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.26
Topological Polar Surface Area	63.32
Polarizability	19.93
Ring Count	1
Rotatable Bond Count	1

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95%	<2 Days	1687856-05-8		$241.50-$1,702.00$241.50$517.50$1,035.00$1,702.00