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1166988-09-5 | Benzonitrile, 3-amino-2-bromo-
CAS No: 1166988-09-5 Catalog No: AG000D0B MDL No:MFCD13185832
Product Description
Catalog Number:
AG000D0B
Chemical Name:
Benzonitrile, 3-amino-2-bromo-
CAS Number:
1166988-09-5
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD13185832
IUPAC Name:
3-amino-2-bromobenzonitrile
InChI:
InChI=1S/C7H5BrN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,10H2
InChI Key:
LZGRGCJYIIGEQV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Br)N
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:
1.7
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