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Home > Nitro Compounds > 420813-90-7
420813-90-7 | N-1,3-benzodioxol-5-yl-2-nitrobenzamide
CAS No: 420813-90-7 Catalog No: AG00JH4N MDL No:MFCD01624321
Product Description
Catalog Number:
AG00JH4N
Chemical Name:
N-1,3-benzodioxol-5-yl-2-nitrobenzamide
CAS Number:
420813-90-7
Molecular Formula:
C14H10N2O5
Molecular Weight:
286.2396
MDL Number:
MFCD01624321
IUPAC Name:
N-(1,3-benzodioxol-5-yl)-2-nitrobenzamide
InChI:
InChI=1S/C14H10N2O5/c17-14(10-3-1-2-4-11(10)16(18)19)15-9-5-6-12-13(7-9)21-8-20-12/h1-7H,8H2,(H,15,17)
InChI Key:
ADFTVMCUHNLRMN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.243g/mol
Monoisotopic Mass:
286.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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