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Home > Nitro Compounds > 101084-61-1
101084-61-1 | 3-Methyl-6-nitro-3H-benzooxazol-2-one
CAS No: 101084-61-1 Catalog No: AG017CM8 MDL No:MFCD13704302
Product Description
Catalog Number:
AG017CM8
Chemical Name:
3-Methyl-6-nitro-3H-benzooxazol-2-one
CAS Number:
101084-61-1
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
MDL Number:
MFCD13704302
IUPAC Name:
3-methyl-6-nitro-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H6N2O4/c1-9-6-3-2-5(10(12)13)4-7(6)14-8(9)11/h2-4H,1H3
InChI Key:
VUKIKMHYSUVLQB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)oc(=O)n2C
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
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