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368-71-8 | 4-(Trifluoromethyl)benzene-1,2-diamine
CAS No: 368-71-8 Catalog No: AG003KBD MDL No:MFCD00042456
Product Description
Catalog Number:
AG003KBD
Chemical Name:
4-(Trifluoromethyl)benzene-1,2-diamine
CAS Number:
368-71-8
Molecular Formula:
C7H7F3N2
Molecular Weight:
176.1391
MDL Number:
MFCD00042456
IUPAC Name:
4-(trifluoromethyl)benzene-1,2-diamine
InChI:
InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChI Key:
RQWJHUJJBYMJMN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1N)C(F)(F)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.142g/mol
Monoisotopic Mass:
176.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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