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868707-63-5 | 2(3H)-Benzoxazolone, 6-bromo-4-methyl-
CAS No: 868707-63-5 Catalog No: AG004LWJ MDL No:
Product Description
Catalog Number:
AG004LWJ
Chemical Name:
2(3H)-Benzoxazolone, 6-bromo-4-methyl-
CAS Number:
868707-63-5
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
IUPAC Name:
6-bromo-4-methyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H6BrNO2/c1-4-2-5(9)3-6-7(4)10-8(11)12-6/h2-3H,1H3,(H,10,11)
InChI Key:
ARTTWYVCUVHWOR-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)cc2c1[nH]c(=O)o2
Properties
Complexity:
209
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:
2.2
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