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Home > Nitro Compounds > 101084-60-0

101084-60-0

101084-60-0 | 2(3H)-Benzoxazolone, 3-methyl-5-nitro-

CAS No: 101084-60-0 Catalog No: AG0003PC MDL No:MFCD19375109

Product Description

Catalog Number:
AG0003PC
Chemical Name:
2(3H)-Benzoxazolone, 3-methyl-5-nitro-
CAS Number:
101084-60-0
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
MDL Number:
MFCD19375109
IUPAC Name:
3-methyl-5-nitro-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H6N2O4/c1-9-6-4-5(10(12)13)2-3-7(6)14-8(9)11/h2-4H,1H3
InChI Key:
NEUIGIUWAYOYAM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(C)c(=O)o2

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.146g/mol
Monoisotopic Mass:
194.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Literature

Title Journal
Improved biochemical strategies for targeted delivery of taxoids. Bioorganic & medicinal chemistry 20070601

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