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1233513-02-4 | Benzenamine, 4-bromo-3-fluoro-N-methyl-
CAS No: 1233513-02-4 Catalog No: AG000KFK MDL No:
Product Description
Catalog Number:
AG000KFK
Chemical Name:
Benzenamine, 4-bromo-3-fluoro-N-methyl-
CAS Number:
1233513-02-4
Molecular Formula:
C7H7BrFN
Molecular Weight:
204.0396
IUPAC Name:
4-bromo-3-fluoro-N-methylaniline
InChI:
InChI=1S/C7H7BrFN/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
InChI Key:
TWOKQYIUVNPQKA-UHFFFAOYSA-N
SMILES:
CNc1ccc(c(c1)F)Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.042g/mol
Monoisotopic Mass:
202.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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