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Home > Nitro Compounds > 65934-94-3
65934-94-3 | Fenitropane
CAS No: 65934-94-3 Catalog No: AG00FQD5 MDL No:
Product Description
Catalog Number:
AG00FQD5
Chemical Name:
Fenitropane
CAS Number:
65934-94-3
IUPAC Name:
(3-acetyloxy-2-nitro-3-phenylpropyl) acetate
InChI:
InChI=1S/C13H15NO6/c1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3
InChI Key:
AYBALPYBYZFKDS-UHFFFAOYSA-N
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.264g/mol
Monoisotopic Mass:
281.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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