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174422-23-2 | Benzoic acid, 3-amino-4-[[(4-chlorophenyl)methyl]amino]-, methyl ester
CAS No: 174422-23-2 Catalog No: AG001ZN1 MDL No:MFCD28127982
Product Description
Catalog Number:
AG001ZN1
Chemical Name:
Benzoic acid, 3-amino-4-[[(4-chlorophenyl)methyl]amino]-, methyl ester
CAS Number:
174422-23-2
Molecular Formula:
C15H15ClN2O2
Molecular Weight:
290.7448
MDL Number:
MFCD28127982
IUPAC Name:
methyl 3-amino-4-[(4-chlorophenyl)methylamino]benzoate
InChI:
InChI=1S/C15H15ClN2O2/c1-20-15(19)11-4-7-14(13(17)8-11)18-9-10-2-5-12(16)6-3-10/h2-8,18H,9,17H2,1H3
InChI Key:
NGHDQDLNHXRQFM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)N)NCc1ccc(cc1)Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.747g/mol
Monoisotopic Mass:
290.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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