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1227311-09-2 | Benzonitrile, 4-iodo-3,5-dimethyl-
CAS No: 1227311-09-2 Catalog No: AG000J7H MDL No:MFCD19441144
Product Description
Catalog Number:
AG000J7H
Chemical Name:
Benzonitrile, 4-iodo-3,5-dimethyl-
CAS Number:
1227311-09-2
Molecular Formula:
C9H8IN
Molecular Weight:
257.0710
MDL Number:
MFCD19441144
IUPAC Name:
4-iodo-3,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H8IN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3
InChI Key:
XDEZDJRLICNWND-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)C)I
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.074g/mol
Monoisotopic Mass:
256.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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