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39263-32-6 | 2-Amino-5-bromobenzonitrile
CAS No: 39263-32-6 Catalog No: AG003GGL MDL No:MFCD00158946
Product Description
Catalog Number:
AG003GGL
Chemical Name:
2-Amino-5-bromobenzonitrile
CAS Number:
39263-32-6
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD00158946
IUPAC Name:
2-amino-5-bromobenzonitrile
InChI:
InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
InChI Key:
OATYCBHROMXWJO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1N
EC Number:
254-387-8
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.964g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.035g/mol
Monoisotopic Mass:
195.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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