Home Halogens 2-chloro-6-(3-phenylpropanamido)benzoic acid

2-chloro-6-(3-phenylpropanamido)benzoic acid

CAS No.:
1411019-78-7
Catalog Number:
AG01EKJT
Molecular Formula:
C16H14ClNO3
Molecular Weight:
303.7403
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Product Description
Catalog Number:
AG01EKJT
Chemical Name:
2-chloro-6-(3-phenylpropanamido)benzoic acid
CAS Number:
1411019-78-7
Molecular Formula:
C16H14ClNO3
Molecular Weight:
303.7403
MDL Number:
MFCD31617029
IUPAC Name:
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
InChI:
InChI=1S/C16H14ClNO3/c17-12-7-4-8-13(15(12)16(20)21)18-14(19)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChI Key:
FRDDGGFVMOMBOB-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1C(=O)O)Cl)CCc1ccccc1
Properties
Complexity:
369  
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:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
303.742g/mol
Monoisotopic Mass:
303.066g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties