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1261819-46-8 | Benzenamine, 2-bromo-4-(difluoromethyl)-
CAS No: 1261819-46-8 Catalog No: AG000S0W MDL No:
Product Description
Catalog Number:
AG000S0W
Chemical Name:
Benzenamine, 2-bromo-4-(difluoromethyl)-
CAS Number:
1261819-46-8
Molecular Formula:
C7H6BrF2N
Molecular Weight:
222.0300
IUPAC Name:
2-bromo-4-(difluoromethyl)aniline
InChI:
InChI=1S/C7H6BrF2N/c8-5-3-4(7(9)10)1-2-6(5)11/h1-3,7H,11H2
InChI Key:
LXQQECFIJRFJEL-UHFFFAOYSA-N
SMILES:
FC(c1ccc(c(c1)Br)N)F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.033g/mol
Monoisotopic Mass:
220.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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