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89059-37-0 | NITROBENZENE (13C6)
CAS No: 89059-37-0 Catalog No: AG00GT98 MDL No:
Product Description
Catalog Number:
AG00GT98
Chemical Name:
NITROBENZENE (13C6)
CAS Number:
89059-37-0
IUPAC Name:
nitro(1,2,3,4,5,6-13C6)cyclohexatriene
InChI:
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key:
LQNUZADURLCDLV-IDEBNGHGSA-N
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.052g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6
Molecular Weight:
129.065g/mol
Monoisotopic Mass:
129.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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