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97112-60-2 | Benzonitrile, 4-iodo-5-methyl-2-nitro-
CAS No: 97112-60-2 Catalog No: AG00IJWO MDL No:
Product Description
Catalog Number:
AG00IJWO
Chemical Name:
Benzonitrile, 4-iodo-5-methyl-2-nitro-
CAS Number:
97112-60-2
IUPAC Name:
4-iodo-5-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C8H5IN2O2/c1-5-2-6(4-10)8(11(12)13)3-7(5)9/h2-3H,1H3
InChI Key:
CVPGXQZZXXEFGM-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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