Home Halogens 6-amino-3-bromo-2-chlorobenzonitrile

6-amino-3-bromo-2-chlorobenzonitrile

CAS No.:
159020-87-8
Catalog Number:
AG01DVPW
Molecular Formula:
C7H4BrClN2
Molecular Weight:
231.4771
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Product Description
Catalog Number:
AG01DVPW
Chemical Name:
6-amino-3-bromo-2-chlorobenzonitrile
CAS Number:
159020-87-8
Molecular Formula:
C7H4BrClN2
Molecular Weight:
231.4771
MDL Number:
MFCD12828071
IUPAC Name:
6-amino-3-bromo-2-chlorobenzonitrile
InChI:
InChI=1S/C7H4BrClN2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2H,11H2
InChI Key:
VCQUJWHUIPJFDH-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)ccc(c1Cl)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.925g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.477g/mol
Monoisotopic Mass:
229.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties