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1261471-96-8 | Benzenemethanamine, 2-bromo-6-chloro-
CAS No: 1261471-96-8 Catalog No: AG000RS2 MDL No:
Product Description
Catalog Number:
AG000RS2
Chemical Name:
Benzenemethanamine, 2-bromo-6-chloro-
CAS Number:
1261471-96-8
Molecular Formula:
C7H7BrClN
Molecular Weight:
220.4942
IUPAC Name:
(2-bromo-6-chlorophenyl)methanamine
InChI:
InChI=1S/C7H7BrClN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChI Key:
MBIMYEQDLUIZAR-UHFFFAOYSA-N
SMILES:
NCc1c(Cl)cccc1Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.494g/mol
Monoisotopic Mass:
218.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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