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76838-87-4 | [1,1'-Biphenyl]-2-amine, 2',4'-difluoro-
CAS No: 76838-87-4 Catalog No: AG005HJT MDL No:
Product Description
Catalog Number:
AG005HJT
Chemical Name:
[1,1'-Biphenyl]-2-amine, 2',4'-difluoro-
CAS Number:
76838-87-4
Molecular Formula:
C12H9F2N
Molecular Weight:
205.2034
IUPAC Name:
2-(2,4-difluorophenyl)aniline
InChI:
InChI=1S/C12H9F2N/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h1-7H,15H2
InChI Key:
JOSFILYUPREPOO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)c1ccccc1N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.208g/mol
Monoisotopic Mass:
205.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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