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10161-88-3 | Benzoic acid, 4-[[[4-(2-chloroacetyl)phenyl]amino]methyl]-
CAS No: 10161-88-3 Catalog No: AG0004ZO MDL No:
Product Description
Catalog Number:
AG0004ZO
Chemical Name:
Benzoic acid, 4-[[[4-(2-chloroacetyl)phenyl]amino]methyl]-
CAS Number:
10161-88-3
Molecular Formula:
C16H14ClNO3
Molecular Weight:
303.7403
IUPAC Name:
4-[[4-(2-chloroacetyl)anilino]methyl]benzoic acid
InChI:
InChI=1S/C16H14ClNO3/c17-9-15(19)12-5-7-14(8-6-12)18-10-11-1-3-13(4-2-11)16(20)21/h1-8,18H,9-10H2,(H,20,21)
InChI Key:
IFXBWJMFWVSFLX-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1)NCc1ccc(cc1)C(=O)O
NSC Number:
107152
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.742g/mol
Monoisotopic Mass:
303.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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