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

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

CAS No.:
379255-44-4
Catalog Number:
AG00I7GW
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
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Product Description
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
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties