Name: Name:1H-Pyrrole-2-carboxaldehyde,3,5-dimethyl-4-nitro-(9CI)
Brand: Angene
SKU: AG00CLK9
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxaldehyde,3,5-dimethyl-4-nitro-(9CI)

CAS No.:

40236-20-2

Catalog Number:

AG00CLK9

Molecular Formula:

C7H8N2O3

Molecular Weight:

168.1500

Catalog Number:

AG00CLK9

Chemical Name:

1H-Pyrrole-2-carboxaldehyde,3,5-dimethyl-4-nitro-(9CI)

CAS Number:

40236-20-2

Molecular Formula:

C7H8N2O3

Molecular Weight:

168.1500

MDL Number:

MFCD18810188

IUPAC Name:

3,5-dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde

InChI:

InChI=1S/C7H8N2O3/c1-4-6(3-10)8-5(2)7(4)9(11)12/h3,8H,1-2H3

InChI Key:

OOVLXRNEZYLZRL-UHFFFAOYSA-N

SMILES:

O=Cc1[nH]c(c(c1C)[N+](=O)[O-])C

Complexity:

201

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.152g/mol

Monoisotopic Mass:

168.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1