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Home > Nitro Compounds > 697234-10-9
697234-10-9 | 7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
CAS No: 697234-10-9 Catalog No: AG00JH55 MDL No:MFCD05855923
Product Description
Catalog Number:
AG00JH55
Chemical Name:
7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
CAS Number:
697234-10-9
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD05855923
IUPAC Name:
7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3-one
InChI:
InChI=1S/C10H10N2O4/c1-6-2-7-4-11-9(13)5-16-10(7)8(3-6)12(14)15/h2-3H,4-5H2,1H3,(H,11,13)
InChI Key:
VVLQWQITYUYCME-UHFFFAOYSA-N
SMILES:
O=C1COc2c(CN1)cc(cc2[N+](=O)[O-])C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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