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832677-02-8 | 1,4-Benzoxazepin-5(4H)-one, 3-bromo-4-methyl-
CAS No: 832677-02-8 Catalog No: AG0057HC MDL No:
Product Description
Catalog Number:
AG0057HC
Chemical Name:
1,4-Benzoxazepin-5(4H)-one, 3-bromo-4-methyl-
CAS Number:
832677-02-8
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
IUPAC Name:
3-bromo-4-methyl-1,4-benzoxazepin-5-one
InChI:
InChI=1S/C10H8BrNO2/c1-12-9(11)6-14-8-5-3-2-4-7(8)10(12)13/h2-6H,1H3
InChI Key:
MYRNSVGBHKRMJK-UHFFFAOYSA-N
SMILES:
BrC1=COc2c(C(=O)N1C)cccc2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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