Home Halogens Benzeneacetonitrile, 2-(bromomethyl)-

Benzeneacetonitrile, 2-(bromomethyl)-

CAS No.:
73217-11-5
Catalog Number:
AG005Q0L
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
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Product Description
Catalog Number:
AG005Q0L
Chemical Name:
Benzeneacetonitrile, 2-(bromomethyl)-
CAS Number:
73217-11-5
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD00462772
IUPAC Name:
2-[2-(bromomethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H8BrN/c10-7-9-4-2-1-3-8(9)5-6-11/h1-4H,5,7H2
InChI Key:
KBAPOYSPGUUBJQ-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1CBr
Properties
Complexity:
158  
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:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties