Name: Name:Benzoic acid, 4-chloro-2-[(chloroacetyl)amino]-
Brand: Angene
SKU: AG00I1W8
Rating: 90 (10 reviews)

Benzoic acid, 4-chloro-2-[(chloroacetyl)amino]-

CAS No.:

187942-05-8

Catalog Number:

AG00I1W8

Molecular Formula:

C9H7Cl2NO3

Molecular Weight:

248.0628

Catalog Number:

AG00I1W8

Chemical Name:

Benzoic acid, 4-chloro-2-[(chloroacetyl)amino]-

CAS Number:

187942-05-8

Molecular Formula:

C9H7Cl2NO3

Molecular Weight:

248.0628

MDL Number:

MFCD03980979

IUPAC Name:

4-chloro-2-[(2-chloroacetyl)amino]benzoic acid

InChI:

InChI=1S/C9H7Cl2NO3/c10-4-8(13)12-7-3-5(11)1-2-6(7)9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)

InChI Key:

MQBUFMHSXZTGPL-UHFFFAOYSA-N

SMILES:

ClCC(=O)Nc1cc(Cl)ccc1C(=O)O

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.059g/mol

Monoisotopic Mass:

246.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7