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Home > Nitro Compounds > 66042-24-8
66042-24-8 | 2-Oxa-3-azabicyclo[2.2.1]hept-5-ene, 3-(4-nitrobenzoyl)-
CAS No: 66042-24-8 Catalog No: AG00H8WN MDL No:
Product Description
Catalog Number:
AG00H8WN
Chemical Name:
2-Oxa-3-azabicyclo[2.2.1]hept-5-ene, 3-(4-nitrobenzoyl)-
CAS Number:
66042-24-8
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
IUPAC Name:
(4-nitrophenyl)-(2-oxa-3-azabicyclo[2.2.1]hept-5-en-3-yl)methanone
InChI:
InChI=1S/C12H10N2O4/c15-12(13-10-5-6-11(7-10)18-13)8-1-3-9(4-2-8)14(16)17/h1-6,10-11H,7H2
InChI Key:
BIZGUFZHIBXDQA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1OC2CC1C=C2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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