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15123-59-8 | 3,1-Benzoxazepine
CAS No: 15123-59-8 Catalog No: AG001N6Y MDL No:
Product Description
Catalog Number:
AG001N6Y
Chemical Name:
3,1-Benzoxazepine
CAS Number:
15123-59-8
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
3,1-benzoxazepine
InChI:
InChI=1S/C9H7NO/c1-2-4-9-8(3-1)5-6-11-7-10-9/h1-7H
InChI Key:
CUNVBWNVIDBXCA-UHFFFAOYSA-N
SMILES:
O1C=Nc2c(C=C1)cccc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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