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10230-35-0 | Phenoxathiin, 2-bromo-
CAS No: 10230-35-0 Catalog No: AG00075L MDL No:
Product Description
Catalog Number:
AG00075L
Chemical Name:
Phenoxathiin, 2-bromo-
CAS Number:
10230-35-0
Molecular Formula:
C12H7BrOS
Molecular Weight:
279.1524
IUPAC Name:
2-bromophenoxathiine
InChI:
InChI=1S/C12H7BrOS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7H
InChI Key:
XYBJXEZKWFYIOP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)Sc1c(O2)cccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.94g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.151g/mol
Monoisotopic Mass:
277.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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