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88281-73-6 | 2(3H)-Benzothiazolone, 7-bromohexahydro-
CAS No: 88281-73-6 Catalog No: AG0049KE MDL No:
Product Description
Catalog Number:
AG0049KE
Chemical Name:
2(3H)-Benzothiazolone, 7-bromohexahydro-
CAS Number:
88281-73-6
Molecular Formula:
C7H10BrNOS
Molecular Weight:
236.1294
IUPAC Name:
7-bromo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H10BrNOS/c8-4-2-1-3-5-6(4)11-7(10)9-5/h4-6H,1-3H2,(H,9,10)
InChI Key:
HIJDBWSOJZMIKG-UHFFFAOYSA-N
SMILES:
O=C1NC2C(S1)C(Br)CCC2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.967g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.127g/mol
Monoisotopic Mass:
234.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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