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113170-72-2 | 3-Bromo-5-(trifluoromethyl)benzene-1,2-diamine
CAS No: 113170-72-2 Catalog No: AG003J16 MDL No:MFCD00042484
Product Description
Catalog Number:
AG003J16
Chemical Name:
3-Bromo-5-(trifluoromethyl)benzene-1,2-diamine
CAS Number:
113170-72-2
Molecular Formula:
C7H6BrF3N2
Molecular Weight:
255.0351
MDL Number:
MFCD00042484
IUPAC Name:
3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
InChI:
InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
InChI Key:
OVGAPUVMLZWQQF-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1N)Br)C(F)(F)F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.967g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.038g/mol
Monoisotopic Mass:
253.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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