Home Nitriles 3-Bromo-4-(dimethylamino)benzonitrile

3-Bromo-4-(dimethylamino)benzonitrile

CAS No.:
348640-88-0
Catalog Number:
AG007H6D
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
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Product Description
Catalog Number:
AG007H6D
Chemical Name:
3-Bromo-4-(dimethylamino)benzonitrile
CAS Number:
348640-88-0
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
MDL Number:
MFCD24307485
IUPAC Name:
3-bromo-4-(dimethylamino)benzonitrile
InChI:
InChI=1S/C9H9BrN2/c1-12(2)9-4-3-7(6-11)5-8(9)10/h3-5H,1-2H3
InChI Key:
SIGWOEVSFRVEBJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)N(C)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.995g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties