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1375069-31-0 | [1,1'-Biphenyl]-3-acetic acid, 4'-[(ethylamino)carbonyl]-3'-fluoro-
CAS No: 1375069-31-0 Catalog No: AG0013FE MDL No:MFCD22205798
Product Description
Catalog Number:
AG0013FE
Chemical Name:
[1,1'-Biphenyl]-3-acetic acid, 4'-[(ethylamino)carbonyl]-3'-fluoro-
CAS Number:
1375069-31-0
Molecular Formula:
C17H16FNO3
Molecular Weight:
301.3122
MDL Number:
MFCD22205798
IUPAC Name:
2-[3-[4-(ethylcarbamoyl)-3-fluorophenyl]phenyl]acetic acid
InChI:
InChI=1S/C17H16FNO3/c1-2-19-17(22)14-7-6-13(10-15(14)18)12-5-3-4-11(8-12)9-16(20)21/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,21)
InChI Key:
YKGMKTLRMXMEOM-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc(cc1F)c1cccc(c1)CC(=O)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.317g/mol
Monoisotopic Mass:
301.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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