200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 49674-16-0

49674-16-0

49674-16-0 | 5-Amino-3-Bromobenzonitrile

CAS No: 49674-16-0 Catalog No: AG0038PK MDL No:MFCD11109874

Product Description

Catalog Number:
AG0038PK
Chemical Name:
5-Amino-3-Bromobenzonitrile
CAS Number:
49674-16-0
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD11109874
IUPAC Name:
3-amino-5-bromobenzonitrile
InChI:
InChI=1S/C7H5BrN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2
InChI Key:
HPIFDUDZTLRWBV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)cc(c1)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:
1.7  

© 2019 Angene International Limited. All rights Reserved.