Name: Name:1H-Pyrazole-3-carboxylic acid, 1-methyl-5-nitro-, methyl ester
Brand: Angene
SKU: AG0051A0
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylic acid, 1-methyl-5-nitro-, methyl ester

CAS No.:

796038-07-8

Catalog Number:

AG0051A0

Molecular Formula:

C6H7N3O4

Molecular Weight:

185.1375

Catalog Number:

AG0051A0

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 1-methyl-5-nitro-, methyl ester

CAS Number:

796038-07-8

Molecular Formula:

C6H7N3O4

Molecular Weight:

185.1375

MDL Number:

MFCD18262314

IUPAC Name:

methyl 1-methyl-5-nitropyrazole-3-carboxylate

InChI:

InChI=1S/C6H7N3O4/c1-8-5(9(11)12)3-4(7-8)6(10)13-2/h3H,1-2H3

InChI Key:

FZEMXZUQMMIYQY-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(nn1C)C(=O)OC

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.139g/mol

Monoisotopic Mass:

185.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6