Home Nitriles 2-(4-Bromophenyl)butanenitrile

2-(4-Bromophenyl)butanenitrile

CAS No.:
99057-81-5
Catalog Number:
AG00IK7S
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IK7S
Chemical Name:
2-(4-Bromophenyl)butanenitrile
CAS Number:
99057-81-5
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
MDL Number:
MFCD11592203
IUPAC Name:
2-(4-bromophenyl)butanenitrile
InChI:
InChI=1S/C10H10BrN/c1-2-8(7-12)9-3-5-10(11)6-4-9/h3-6,8H,2H2,1H3
InChI Key:
XKDZPVMRZRBXOK-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Br)C#N
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.101g/mol
Monoisotopic Mass:
223g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties