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Home > Bromides > 1215074-47-7
1215074-47-7 | 1,4-Benzoxazepine, 8-bromo-2,3,4,5-tetrahydro-
CAS No: 1215074-47-7 Catalog No: AG001543 MDL No:MFCD13186756
Product Description
Catalog Number:
AG001543
Chemical Name:
1,4-Benzoxazepine, 8-bromo-2,3,4,5-tetrahydro-
CAS Number:
1215074-47-7
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
MDL Number:
MFCD13186756
IUPAC Name:
8-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine
InChI:
InChI=1S/C9H10BrNO/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11H,3-4,6H2
InChI Key:
MPNXHSHDIGSPKY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCCNC2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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