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1177558-50-7 | Benzonitrile, 3-(aminomethyl)-5-bromo-
CAS No: 1177558-50-7 Catalog No: AG000HSA MDL No:
Product Description
Catalog Number:
AG000HSA
Chemical Name:
Benzonitrile, 3-(aminomethyl)-5-bromo-
CAS Number:
1177558-50-7
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
IUPAC Name:
3-(aminomethyl)-5-bromobenzonitrile
InChI:
InChI=1S/C8H7BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H,4,10H2
InChI Key:
OCPATBUYJSSEMJ-UHFFFAOYSA-N
SMILES:
NCc1cc(C#N)cc(c1)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.062g/mol
Monoisotopic Mass:
209.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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