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160313-49-5 | Benzonitrile, 4-bromo-3-(dibromomethyl)-
CAS No: 160313-49-5 Catalog No: AG001RTU MDL No:MFCD24335261
Product Description
Catalog Number:
AG001RTU
Chemical Name:
Benzonitrile, 4-bromo-3-(dibromomethyl)-
CAS Number:
160313-49-5
Molecular Formula:
C8H4Br3N
Molecular Weight:
353.8361
MDL Number:
MFCD24335261
IUPAC Name:
4-bromo-3-(dibromomethyl)benzonitrile
InChI:
InChI=1S/C8H4Br3N/c9-7-2-1-5(4-12)3-6(7)8(10)11/h1-3,8H
InChI Key:
DDQLVABPXBLYOY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(Br)Br)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.787g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.839g/mol
Monoisotopic Mass:
350.789g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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