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Home > Nitro Compounds > 137469-90-0
137469-90-0 | 2H-1,4-Benzoxazine, 3,4-dihydro-5-nitro-
CAS No: 137469-90-0 Catalog No: AG0013C5 MDL No:MFCD09955629
Product Description
Catalog Number:
AG0013C5
Chemical Name:
2H-1,4-Benzoxazine, 3,4-dihydro-5-nitro-
CAS Number:
137469-90-0
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD09955629
IUPAC Name:
5-nitro-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C8H8N2O3/c11-10(12)6-2-1-3-7-8(6)9-4-5-13-7/h1-3,9H,4-5H2
InChI Key:
OEMLNKRYGKJRJY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1NCCO2
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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