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7735-61-7 | 4,6-Dibromo-5-hydroxy-benzo[1,3]oxathiol-2-one
CAS No: 7735-61-7 Catalog No: AG01EXCY MDL No:
Product Description
Catalog Number:
AG01EXCY
Chemical Name:
4,6-Dibromo-5-hydroxy-benzo[1,3]oxathiol-2-one
CAS Number:
7735-61-7
Molecular Formula:
C7H2Br2O3S
Molecular Weight:
325.9620
IUPAC Name:
4,6-dibromo-5-hydroxy-1,3-benzoxathiol-2-one
InChI:
InChI=1S/C7H2Br2O3S/c8-2-1-3-6(4(9)5(2)10)13-7(11)12-3/h1,10H
InChI Key:
IMCHHEFYSSYRFL-UHFFFAOYSA-N
SMILES:
O=c1oc2c(s1)c(Br)c(c(c2)Br)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.807g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.958g/mol
Monoisotopic Mass:
323.809g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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