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Home > Nitro Compounds > 595-42-6
595-42-6 | 2-METHYL-2-NITRO-N-BUTANE
CAS No: 595-42-6 Catalog No: AG00EZKU MDL No:
Product Description
Catalog Number:
AG00EZKU
Chemical Name:
2-METHYL-2-NITRO-N-BUTANE
CAS Number:
595-42-6
IUPAC Name:
2-methyl-2-nitrobutane
InChI:
InChI=1S/C5H11NO2/c1-4-5(2,3)6(7)8/h4H2,1-3H3
InChI Key:
RATSAUMEHGLBCT-UHFFFAOYSA-N
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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