Name: Name:1H-?Pyrazole-?3-?carboxylic acid, 5-?chloro-?1-?methyl-?4-?nitro-
Brand: Angene
SKU: AG01AG2Y
Rating: 90 (10 reviews)

1H-?Pyrazole-?3-?carboxylic acid, 5-?chloro-?1-?methyl-?4-?nitro-

CAS No.:

1909316-36-4

Catalog Number:

AG01AG2Y

Molecular Formula:

C5H4ClN3O4

Molecular Weight:

205.5560

Catalog Number:

AG01AG2Y

Chemical Name:

1H-?Pyrazole-?3-?carboxylic acid, 5-?chloro-?1-?methyl-?4-?nitro-

CAS Number:

1909316-36-4

Molecular Formula:

C5H4ClN3O4

Molecular Weight:

205.5560

MDL Number:

MFCD29054819

IUPAC Name:

5-chloro-1-methyl-4-nitropyrazole-3-carboxylic acid

InChI:

InChI=1S/C5H4ClN3O4/c1-8-4(6)3(9(12)13)2(7-8)5(10)11/h1H3,(H,10,11)

InChI Key:

PTGAUEBFFKSGSZ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(nn(c1Cl)C)C(=O)O

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.554g/mol

Monoisotopic Mass:

204.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9