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30546-30-6 | Benzene, 1-cyclopropyl-2,4-dinitro-
CAS No: 30546-30-6 Catalog No: AG0030IB MDL No:
Product Description
Catalog Number:
AG0030IB
Chemical Name:
Benzene, 1-cyclopropyl-2,4-dinitro-
CAS Number:
30546-30-6
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
1-cyclopropyl-2,4-dinitrobenzene
InChI:
InChI=1S/C9H8N2O4/c12-10(13)7-3-4-8(6-1-2-6)9(5-7)11(14)15/h3-6H,1-2H2
InChI Key:
SBYYYABVYMWKDJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C1CC1)[N+](=O)[O-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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