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Home > Nitro Compounds > 127283-63-0
127283-63-0 | 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-nitro-
CAS No: 127283-63-0 Catalog No: AG000WVZ MDL No:
Product Description
Catalog Number:
AG000WVZ
Chemical Name:
1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-nitro-
CAS Number:
127283-63-0
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
7-nitro-2,3,4,5-tetrahydro-1-benzoxepine
InChI:
InChI=1S/C10H11NO3/c12-11(13)9-4-5-10-8(7-9)3-1-2-6-14-10/h4-5,7H,1-3,6H2
InChI Key:
CTRKQLUPCBNDCI-UHFFFAOYSA-N
SMILES:
O=C1CCCOc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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