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1199-04-8 | 2H-1,3-Benzoxazin-2-one, 6-bromo-3,4-dihydro-
CAS No: 1199-04-8 Catalog No: AG000PU8 MDL No:MFCD11109848
Product Description
Catalog Number:
AG000PU8
Chemical Name:
2H-1,3-Benzoxazin-2-one, 6-bromo-3,4-dihydro-
CAS Number:
1199-04-8
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
MDL Number:
MFCD11109848
IUPAC Name:
6-bromo-3,4-dihydro-1,3-benzoxazin-2-one
InChI:
InChI=1S/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-10-8(11)12-7/h1-3H,4H2,(H,10,11)
InChI Key:
GUBFXJAFQXKEIT-UHFFFAOYSA-N
SMILES:
O=C1NCc2c(O1)ccc(c2)Br
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.045g/mol
Monoisotopic Mass:
226.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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