Home Halogens 4-bromo-2-(isopropylamino)benzonitrile

4-bromo-2-(isopropylamino)benzonitrile

CAS No.:
954226-99-4
Catalog Number:
AG01DWWZ
Molecular Formula:
C10H11BrN2
Molecular Weight:
239.1117
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Product Description
Catalog Number:
AG01DWWZ
Chemical Name:
4-bromo-2-(isopropylamino)benzonitrile
CAS Number:
954226-99-4
Molecular Formula:
C10H11BrN2
Molecular Weight:
239.1117
MDL Number:
MFCD09862649
IUPAC Name:
4-bromo-2-(propan-2-ylamino)benzonitrile
InChI:
InChI=1S/C10H11BrN2/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7,13H,1-2H3
InChI Key:
YQVAKTNKNMKYEC-UHFFFAOYSA-N
SMILES:
CC(Nc1cc(Br)ccc1C#N)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.011g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.116g/mol
Monoisotopic Mass:
238.011g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties