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304858-65-9 | Benzonitrile, 2-amino-4-bromo-
CAS No: 304858-65-9 Catalog No: AG0030AT MDL No:MFCD08752638
Product Description
Catalog Number:
AG0030AT
Chemical Name:
Benzonitrile, 2-amino-4-bromo-
CAS Number:
304858-65-9
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD08752638
IUPAC Name:
2-amino-4-bromobenzonitrile
InChI:
InChI=1S/C7H5BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
InChI Key:
PWJBXJQMHYIRKI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1N)Br
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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