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86499-96-9 | 3-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
CAS No: 86499-96-9 Catalog No: AG003J18 MDL No:MFCD03085918
Product Description
Catalog Number:
AG003J18
Chemical Name:
3-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
CAS Number:
86499-96-9
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD03085918
IUPAC Name:
3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
InChI Key:
JMXPGCGROVEPID-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2CCC1Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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