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1261791-04-1 | Benzonitrile, 5-(aminomethyl)-2-bromo-
CAS No: 1261791-04-1 Catalog No: AG000S05 MDL No:
Product Description
Catalog Number:
AG000S05
Chemical Name:
Benzonitrile, 5-(aminomethyl)-2-bromo-
CAS Number:
1261791-04-1
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
IUPAC Name:
5-(aminomethyl)-2-bromobenzonitrile
InChI:
InChI=1S/C8H7BrN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4,10H2
InChI Key:
DXXXQCCCRHVNCC-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)C#N)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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