Home Halogens methyl 4-[(2-chloropropanamido)methyl]benzoate

methyl 4-[(2-chloropropanamido)methyl]benzoate

CAS No.:
1087791-93-2
Catalog Number:
AG019P7B
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
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Product Description
Catalog Number:
AG019P7B
Chemical Name:
methyl 4-[(2-chloropropanamido)methyl]benzoate
CAS Number:
1087791-93-2
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
MDL Number:
MFCD11099375
IUPAC Name:
methyl 4-[(2-chloropropanoylamino)methyl]benzoate
InChI:
InChI=1S/C12H14ClNO3/c1-8(13)11(15)14-7-9-3-5-10(6-4-9)12(16)17-2/h3-6,8H,7H2,1-2H3,(H,14,15)
InChI Key:
IZDWLSJOGMNKOY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CNC(=O)C(Cl)C
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.698g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties