Home Other Building Blocks 8-BROMO-5-METHYL-2,3,4,5-TETRAHYDRO-1,5-BENZOXAZEPIN-4-ONE

8-BROMO-5-METHYL-2,3,4,5-TETRAHYDRO-1,5-BENZOXAZEPIN-4-ONE

CAS No.:
1268128-38-6
Catalog Number:
AG01DYMX
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
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Product Description
Catalog Number:
AG01DYMX
Chemical Name:
8-BROMO-5-METHYL-2,3,4,5-TETRAHYDRO-1,5-BENZOXAZEPIN-4-ONE
CAS Number:
1268128-38-6
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD19378094
IUPAC Name:
8-bromo-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
InChI:
InChI=1S/C10H10BrNO2/c1-12-8-3-2-7(11)6-9(8)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3
InChI Key:
KDJWZJHXVYLETO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCCC(=O)N2C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties