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1314406-43-3 | Benzoic acid, 4-[(cyclopropylcarbonyl)amino]-3-fluoro-
CAS No: 1314406-43-3 Catalog No: AG000W79 MDL No:MFCD18285538
Product Description
Catalog Number:
AG000W79
Chemical Name:
Benzoic acid, 4-[(cyclopropylcarbonyl)amino]-3-fluoro-
CAS Number:
1314406-43-3
Molecular Formula:
C11H10FNO3
Molecular Weight:
223.2004
MDL Number:
MFCD18285538
IUPAC Name:
4-(cyclopropanecarbonylamino)-3-fluorobenzoic acid
InChI:
InChI=1S/C11H10FNO3/c12-8-5-7(11(15)16)3-4-9(8)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)(H,15,16)
InChI Key:
AMOHREYQHUTFGN-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)Nc1ccc(cc1F)C(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.203g/mol
Monoisotopic Mass:
223.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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