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Home > Nitro Compounds > 1170249-44-1
1170249-44-1 | 3,3-DIMETHYL-7-NITRO-2,3-DIHYDRO-1,5-BENZOXAZEPIN-4(5H)-ONE
CAS No: 1170249-44-1 Catalog No: AG01AROC MDL No:MFCD11987076
Product Description
Catalog Number:
AG01AROC
Chemical Name:
3,3-DIMETHYL-7-NITRO-2,3-DIHYDRO-1,5-BENZOXAZEPIN-4(5H)-ONE
CAS Number:
1170249-44-1
MDL Number:
MFCD11987076
IUPAC Name:
3,3-dimethyl-7-nitro-2,5-dihydro-1,5-benzoxazepin-4-one
InChI:
InChI=1S/C11H12N2O4/c1-11(2)6-17-9-4-3-7(13(15)16)5-8(9)12-10(11)14/h3-5H,6H2,1-2H3,(H,12,14)
InChI Key:
FOMIYORDGVQVOP-UHFFFAOYSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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