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295793-35-0 | Methanone, (6-methyl-1,3-benzodioxol-5-yl)(4-nitrophenyl)-
CAS No: 295793-35-0 Catalog No: AG002YT4 MDL No:
Product Description
Catalog Number:
AG002YT4
Chemical Name:
Methanone, (6-methyl-1,3-benzodioxol-5-yl)(4-nitrophenyl)-
CAS Number:
295793-35-0
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
IUPAC Name:
(6-methyl-1,3-benzodioxol-5-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C15H11NO5/c1-9-6-13-14(21-8-20-13)7-12(9)15(17)10-2-4-11(5-3-10)16(18)19/h2-7H,8H2,1H3
InChI Key:
JDJPMVVKRFGWIB-UHFFFAOYSA-N
SMILES:
Cc1cc2OCOc2cc1C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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