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1314406-53-5 | Benzoic acid, 2-chloro-6-[(cyclopropylcarbonyl)amino]-
CAS No: 1314406-53-5 Catalog No: AG000W70 MDL No:MFCD18872285
Product Description
Catalog Number:
AG000W70
Chemical Name:
Benzoic acid, 2-chloro-6-[(cyclopropylcarbonyl)amino]-
CAS Number:
1314406-53-5
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
MDL Number:
MFCD18872285
IUPAC Name:
2-chloro-6-(cyclopropanecarbonylamino)benzoic acid
InChI:
InChI=1S/C11H10ClNO3/c12-7-2-1-3-8(9(7)11(15)16)13-10(14)6-4-5-6/h1-3,6H,4-5H2,(H,13,14)(H,15,16)
InChI Key:
WJMMUJYVKAYTEQ-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Nc1cccc(c1C(=O)O)Cl
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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