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Home > Nitro Compounds > 132522-85-1
132522-85-1 | 2-METHYL-5-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE
CAS No: 132522-85-1 Catalog No: AG01BZ5O MDL No:MFCD17168279
Product Description
Catalog Number:
AG01BZ5O
Chemical Name:
2-METHYL-5-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE
CAS Number:
132522-85-1
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD17168279
IUPAC Name:
2-methyl-5-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H8N2O4/c1-5-9(12)10-8-6(11(13)14)3-2-4-7(8)15-5/h2-5H,1H3,(H,10,12)
InChI Key:
KJLTZKFWTJOQFY-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(OC1C)cccc2[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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