Name: Name:[(3-chloro-4-cyanophenyl)carbamoyl]formic acid
Brand: Angene
SKU: AG01A7K2
Rating: 90 (10 reviews)

[(3-chloro-4-cyanophenyl)carbamoyl]formic acid

CAS No.:

1153559-74-0

Catalog Number:

AG01A7K2

Molecular Formula:

C9H5ClN2O3

Molecular Weight:

224.6006

Catalog Number:

AG01A7K2

Chemical Name:

[(3-chloro-4-cyanophenyl)carbamoyl]formic acid

CAS Number:

1153559-74-0

Molecular Formula:

C9H5ClN2O3

Molecular Weight:

224.6006

MDL Number:

MFCD12171706

IUPAC Name:

2-(3-chloro-4-cyanoanilino)-2-oxoacetic acid

InChI:

InChI=1S/C9H5ClN2O3/c10-7-3-6(2-1-5(7)4-11)12-8(13)9(14)15/h1-3H,(H,12,13)(H,14,15)

InChI Key:

KRCZWNYFBSUMLZ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1Cl)NC(=O)C(=O)O

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.6g/mol

Monoisotopic Mass:

223.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2