2-methyl-3-nitrobenzoic acid

2-methyl-3-nitrobenzoic acid

CAS: 1975-50-4

Formula: C8H7NO4

SMILES: CC1=C(C=CC=C1[N+]([O-])=O)C(O)=O

IUPAC: 2-methyl-3-nitrobenzoic acid

InChI: InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

Composition: C (53.04%), H (3.90%), N (7.73%), O (35.33%)

Molar Mass: 181.147

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.037507709
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YPQAFWHSMWWPLX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.68
Topological Polar Surface Area	80.44
Polarizability	16.4
Ring Count	1
Rotatable Bond Count	2

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98%	<14 Days	1975-50-4		Quote Only

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1975-50-4		$51.35-$136.56$51.35$63.37$86.31$136.56

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90%	<16 Days	1975-50-4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00

Survival Technologies Limited

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<3 Days	1975-50-4		$231.43-$1,842.51$231.43$1,023.62$1,842.51