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823180-13-8 | 1-Hexene, 1,1-diiodo-5-methyl-5-nitro-
CAS No: 823180-13-8 Catalog No: AG00552S MDL No:
Product Description
Catalog Number:
AG00552S
Chemical Name:
1-Hexene, 1,1-diiodo-5-methyl-5-nitro-
CAS Number:
823180-13-8
Molecular Formula:
C7H11I2NO2
Molecular Weight:
394.9767
IUPAC Name:
1,1-diiodo-5-methyl-5-nitrohex-1-ene
InChI:
InChI=1S/C7H11I2NO2/c1-7(2,10(11)12)5-3-4-6(8)9/h4H,3,5H2,1-2H3
InChI Key:
GIVJOZAVDHFMCM-UHFFFAOYSA-N
SMILES:
IC(=CCCC([N+](=O)[O-])(C)C)I
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.888g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.979g/mol
Monoisotopic Mass:
394.888g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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