4,6-dibromo-3-hydroxy-2-nitrobenzoic acid

4,6-dibromo-3-hydroxy-2-nitrobenzoic acid

CAS: 160911-18-2

Formula: C7H3Br2NO5

SMILES: OC(=O)C1=C(C(O)=C(Br)C=C1Br)[N+]([O-])=O

IUPAC: 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid

InChI: InChI=1S/C7H3Br2NO5/c8-2-1-3(9)6(11)5(10(14)15)4(2)7(12)13/h1,11H,(H,12,13)

Composition: C (24.66%), H (0.89%), Br (46.88%), N (4.11%), O (23.47%)

Molar Mass: 340.911

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	338.837798
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	GVPABBXTZOHVHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.86
Topological Polar Surface Area	100.67
Polarizability	21.69
Ring Count	1
Rotatable Bond Count	2

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