Home Nitriles 2-(5-Bromo-2-methylphenyl)acetonitrile

2-(5-Bromo-2-methylphenyl)acetonitrile

CAS No.:
1231244-85-1
Catalog Number:
AG00HH6G
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$164
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Product Description
Catalog Number:
AG00HH6G
Chemical Name:
2-(5-Bromo-2-methylphenyl)acetonitrile
CAS Number:
1231244-85-1
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD18392231
IUPAC Name:
2-(5-bromo-2-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrN/c1-7-2-3-9(10)6-8(7)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
CNMZUCWQQWFUML-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CC#N)Br
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:
2.6  
Properties