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Home > Nitro Compounds > 201595-60-0
201595-60-0 | Benzene-13C6, 1,3-dinitro- (9CI)
CAS No: 201595-60-0 Catalog No: AG002DIK MDL No:
Product Description
Catalog Number:
AG002DIK
Chemical Name:
Benzene-13C6, 1,3-dinitro- (9CI)
CAS Number:
201595-60-0
IUPAC Name:
1,3-dinitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
InChI:
InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key:
WDCYWAQPCXBPJA-IDEBNGHGSA-N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6
Molecular Weight:
174.062g/mol
Monoisotopic Mass:
174.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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