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796-33-8 | [1,1'-Biphenyl]-2-ol,3,5-dinitro-, 2-acetate
CAS No: 796-33-8 Catalog No: AG0057LX MDL No:
Product Description
Catalog Number:
AG0057LX
Chemical Name:
[1,1'-Biphenyl]-2-ol,3,5-dinitro-, 2-acetate
CAS Number:
796-33-8
Molecular Formula:
C14H10N2O6
Molecular Weight:
302.2390
IUPAC Name:
(2,4-dinitro-6-phenylphenyl) acetate
InChI:
InChI=1S/C14H10N2O6/c1-9(17)22-14-12(10-5-3-2-4-6-10)7-11(15(18)19)8-13(14)16(20)21/h2-8H,1H3
InChI Key:
RNOGJNZWRCEMMB-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccccc1
NSC Number:
66328
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.242g/mol
Monoisotopic Mass:
302.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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