Home Halogens 2-Bromo-4-(bromomethyl)benzonitrile

2-Bromo-4-(bromomethyl)benzonitrile

CAS No.:
89892-38-6
Catalog Number:
AG003GND
Molecular Formula:
C8H5Br2N
Molecular Weight:
274.9400
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Product Description
Catalog Number:
AG003GND
Chemical Name:
2-Bromo-4-(bromomethyl)benzonitrile
CAS Number:
89892-38-6
Molecular Formula:
C8H5Br2N
Molecular Weight:
274.9400
MDL Number:
MFCD09261043
IUPAC Name:
2-bromo-4-(bromomethyl)benzonitrile
InChI:
InChI=1S/C8H5Br2N/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2
InChI Key:
FOVQCPSLQZIRSB-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)Br)C#N
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.877g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.943g/mol
Monoisotopic Mass:
272.879g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties