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1261909-44-7 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-[(ethylamino)carbonyl]-3',6-difluoro-
CAS No: 1261909-44-7 Catalog No: AG000S5B MDL No:MFCD18322560
Product Description
Catalog Number:
AG000S5B
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-[(ethylamino)carbonyl]-3',6-difluoro-
CAS Number:
1261909-44-7
Molecular Formula:
C16H13F2NO3
Molecular Weight:
305.2761
MDL Number:
MFCD18322560
IUPAC Name:
3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid
InChI:
InChI=1S/C16H13F2NO3/c1-2-19-15(20)11-5-3-9(8-14(11)18)12-7-10(16(21)22)4-6-13(12)17/h3-8H,2H2,1H3,(H,19,20)(H,21,22)
InChI Key:
ZBCMEMCAMPNWSE-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc(cc1F)c1cc(ccc1F)C(=O)O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.281g/mol
Monoisotopic Mass:
305.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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