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Home > Nitro Compounds > 73758-38-0
73758-38-0 | Phenol,2-(3-cyclohexen-1-yl)-4,6-dinitro-
CAS No: 73758-38-0 Catalog No: AG005LIX MDL No:
Product Description
Catalog Number:
AG005LIX
Chemical Name:
Phenol,2-(3-cyclohexen-1-yl)-4,6-dinitro-
CAS Number:
73758-38-0
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
2-cyclohex-3-en-1-yl-4,6-dinitrophenol
InChI:
InChI=1S/C12H12N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h1-2,6-8,15H,3-5H2
InChI Key:
DGSNKEIBWIKGNZ-UHFFFAOYSA-N
SMILES:
Nc1cc(N)c(c(c1)C1CCC=CC1)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.237g/mol
Monoisotopic Mass:
264.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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