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Home > Bromides > 1233479-42-9
1233479-42-9 | Benzonitrile, 3-bromo-2-(bromomethyl)-
CAS No: 1233479-42-9 Catalog No: AG000KER MDL No:MFCD18390220
Product Description
Catalog Number:
AG000KER
Chemical Name:
Benzonitrile, 3-bromo-2-(bromomethyl)-
CAS Number:
1233479-42-9
Molecular Formula:
C8H5Br2N
Molecular Weight:
274.9400
MDL Number:
MFCD18390220
IUPAC Name:
3-bromo-2-(bromomethyl)benzonitrile
InChI:
InChI=1S/C8H5Br2N/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2
InChI Key:
JGGHLJKQQVOMMG-UHFFFAOYSA-N
SMILES:
BrCc1c(C#N)cccc1Br
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
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