Home Halogens Benzonitrile, 5-bromo-2,4-dimethyl- (9CI)

Benzonitrile, 5-bromo-2,4-dimethyl- (9CI)

CAS No.:
807628-76-8
Catalog Number:
AG00G6TL
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG00G6TL
Chemical Name:
Benzonitrile, 5-bromo-2,4-dimethyl- (9CI)
CAS Number:
807628-76-8
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD18826356
IUPAC Name:
5-bromo-2,4-dimethylbenzonitrile
InChI:
InChI=1S/C9H8BrN/c1-6-3-7(2)9(10)4-8(6)5-11/h3-4H,1-2H3
InChI Key:
MUESXHWNYAMOEX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(cc1C)C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties