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1000571-53-8 | 2-Amino-5-bromo-3-(trifluoromethyl)benzonitrile
CAS No: 1000571-53-8 Catalog No: AG01F9OZ MDL No:MFCD09800831
Product Description
Catalog Number:
AG01F9OZ
Chemical Name:
2-Amino-5-bromo-3-(trifluoromethyl)benzonitrile
CAS Number:
1000571-53-8
Molecular Formula:
C8H4BrF3N2
Molecular Weight:
265.0300
MDL Number:
MFCD09800831
IUPAC Name:
2-amino-5-bromo-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4BrF3N2/c9-5-1-4(3-13)7(14)6(2-5)8(10,11)12/h1-2H,14H2
InChI Key:
QMUIRDSEOUGZIP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1N)C(F)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.033g/mol
Monoisotopic Mass:
263.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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