Name: Name:4-CHLORO-5-NITRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
Brand: Angene
SKU: AG01DYUM
Rating: 90 (10 reviews)

4-CHLORO-5-NITRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER

CAS No.:

1706433-18-2

Catalog Number:

AG01DYUM

Molecular Formula:

C6H5ClN2O4

Molecular Weight:

204.5679

Catalog Number:

AG01DYUM

Chemical Name:

4-CHLORO-5-NITRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER

CAS Number:

1706433-18-2

Molecular Formula:

C6H5ClN2O4

Molecular Weight:

204.5679

MDL Number:

MFCD28024414

IUPAC Name:

methyl 4-chloro-5-nitro-1H-pyrrole-2-carboxylate

InChI:

InChI=1S/C6H5ClN2O4/c1-13-6(10)4-2-3(7)5(8-4)9(11)12/h2,8H,1H3

InChI Key:

OUHBTZGZPWAUIZ-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(c([nH]1)[N+](=O)[O-])Cl

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.994g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.566g/mol

Monoisotopic Mass:

203.994g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7