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17775-01-8 | 1,4-Benzoxazepine, 2,3,4,5-tetrahydro-
CAS No: 17775-01-8 Catalog No: AG0025JA MDL No:MFCD08669765
Product Description
Catalog Number:
AG0025JA
Chemical Name:
1,4-Benzoxazepine, 2,3,4,5-tetrahydro-
CAS Number:
17775-01-8
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD08669765
IUPAC Name:
2,3,4,5-tetrahydro-1,4-benzoxazepine
InChI:
InChI=1S/C9H11NO/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-4,10H,5-7H2
InChI Key:
HDVHFHONOKCUHQ-UHFFFAOYSA-N
SMILES:
C1COc2c(CN1)cccc2
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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