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1019621-42-1 | Benzenemethanamine, N-(3,4-difluorophenyl)-4-fluoro-
CAS No: 1019621-42-1 Catalog No: AG00063O MDL No:
Product Description
Catalog Number:
AG00063O
Chemical Name:
Benzenemethanamine, N-(3,4-difluorophenyl)-4-fluoro-
CAS Number:
1019621-42-1
Molecular Formula:
C13H10F3N
Molecular Weight:
237.2204
IUPAC Name:
3,4-difluoro-N-[(4-fluorophenyl)methyl]aniline
InChI:
InChI=1S/C13H10F3N/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-7,17H,8H2
InChI Key:
DWCVGMWQHRAALC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CNc1ccc(c(c1)F)F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.225g/mol
Monoisotopic Mass:
237.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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