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827573-98-8 | 1-Butene, 4-iodo-3,3-dimethyl-1-nitro-
CAS No: 827573-98-8 Catalog No: AG004Z1N MDL No:
Product Description
Catalog Number:
AG004Z1N
Chemical Name:
1-Butene, 4-iodo-3,3-dimethyl-1-nitro-
CAS Number:
827573-98-8
Molecular Formula:
C6H10INO2
Molecular Weight:
255.0536
IUPAC Name:
4-iodo-3,3-dimethyl-1-nitrobut-1-ene
InChI:
InChI=1S/C6H10INO2/c1-6(2,5-7)3-4-8(9)10/h3-4H,5H2,1-2H3
InChI Key:
QVFJFFWKYYPREX-UHFFFAOYSA-N
SMILES:
ICC(C=C[N+](=O)[O-])(C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.055g/mol
Monoisotopic Mass:
254.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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