Name: Name:Methyl 3-(2-nitrophenyl)-1H-pyrazole-5-carboxylate
Brand: Angene
SKU: AG00IA8N
Rating: 90 (10 reviews)

Methyl 3-(2-nitrophenyl)-1H-pyrazole-5-carboxylate

CAS No.:

57446-04-5

Catalog Number:

AG00IA8N

Molecular Formula:

C11H9N3O4

Molecular Weight:

247.2069

Catalog Number:

AG00IA8N

Chemical Name:

Methyl 3-(2-nitrophenyl)-1H-pyrazole-5-carboxylate

CAS Number:

57446-04-5

Molecular Formula:

C11H9N3O4

Molecular Weight:

247.2069

MDL Number:

MFCD22628335

IUPAC Name:

methyl 3-(2-nitrophenyl)-1H-pyrazole-5-carboxylate

InChI:

InChI=1S/C11H9N3O4/c1-18-11(15)9-6-8(12-13-9)7-4-2-3-5-10(7)14(16)17/h2-6H,1H3,(H,12,13)

InChI Key:

JNWUYQPILCTXGQ-UHFFFAOYSA-N

SMILES:

COC(=O)c1[nH]nc(c1)c1ccccc1[N+](=O)[O-]

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.21g/mol

Monoisotopic Mass:

247.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9