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Home > Nitro Compounds > 1085728-28-4
1085728-28-4 | 8-nitro-2,3,4,5-tetrahydro-1,4-benzoxazepine
CAS No: 1085728-28-4 Catalog No: AG01BVHF MDL No:MFCD30476414
Product Description
Catalog Number:
AG01BVHF
Chemical Name:
8-nitro-2,3,4,5-tetrahydro-1,4-benzoxazepine
CAS Number:
1085728-28-4
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD30476414
IUPAC Name:
8-nitro-2,3,4,5-tetrahydro-1,4-benzoxazepine
InChI:
InChI=1S/C9H10N2O3/c12-11(13)8-2-1-7-6-10-3-4-14-9(7)5-8/h1-2,5,10H,3-4,6H2
InChI Key:
BZBLNIGJHJCHEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OCCNC2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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