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143880-33-5 | 1H-2,3-Benzoxazin-1-one, 5,6,7,8-tetrabromo-4-(4-methylphenyl)-
CAS No: 143880-33-5 Catalog No: AG001IJH MDL No:
Product Description
Catalog Number:
AG001IJH
Chemical Name:
1H-2,3-Benzoxazin-1-one, 5,6,7,8-tetrabromo-4-(4-methylphenyl)-
CAS Number:
143880-33-5
Molecular Formula:
C15H7Br4NO2
Molecular Weight:
552.8376
IUPAC Name:
5,6,7,8-tetrabromo-4-(4-methylphenyl)-2,3-benzoxazin-1-one
InChI:
InChI=1S/C15H7Br4NO2/c1-6-2-4-7(5-3-6)14-8-9(15(21)22-20-14)11(17)13(19)12(18)10(8)16/h2-5H,1H3
InChI Key:
YRURWPLQILUZEA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(=O)c2c1c(Br)c(Br)c(c2Br)Br
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.717g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
552.842g/mol
Monoisotopic Mass:
548.721g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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