Home Nitriles 2-broMo-4-ethylbenzonitrile

2-broMo-4-ethylbenzonitrile

CAS No.:
38678-87-4
Catalog Number:
AG00CMMC
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00CMMC
Chemical Name:
2-broMo-4-ethylbenzonitrile
CAS Number:
38678-87-4
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD21606665
IUPAC Name:
2-bromo-4-ethylbenzonitrile
InChI:
InChI=1S/C9H8BrN/c1-2-7-3-4-8(6-11)9(10)5-7/h3-5H,2H2,1H3
InChI Key:
ABQVGEQFWXVFNU-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)Br)C#N
Properties
Complexity:
170  
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:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties