Name: Name:4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester
Brand: Angene
SKU: AG00I7GW
Rating: 90 (10 reviews)

4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester

CAS No.:

379255-44-4

Catalog Number:

AG00I7GW

Molecular Formula:

C11H12ClNO3

Molecular Weight:

241.6709

Catalog Number:

AG00I7GW

Chemical Name:

4-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester

CAS Number:

379255-44-4

Molecular Formula:

C11H12ClNO3

Molecular Weight:

241.6709

MDL Number:

MFCD03147364

IUPAC Name:

methyl 4-[[(2-chloroacetyl)amino]methyl]benzoate

InChI:

InChI=1S/C11H12ClNO3/c1-16-11(15)9-4-2-8(3-5-9)7-13-10(14)6-12/h2-5H,6-7H2,1H3,(H,13,14)

InChI Key:

MSDHDGHQLVRHJA-UHFFFAOYSA-N

SMILES:

ClCC(=O)NCc1ccc(cc1)C(=O)OC

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.671g/mol

Monoisotopic Mass:

241.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5