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208665-96-7 | Benzenecarbothioamide, 3-bromo-4-(2-methylpropoxy)-
CAS No: 208665-96-7 Catalog No: AG002JTL MDL No:MFCD12911898
Product Description
Catalog Number:
AG002JTL
Chemical Name:
Benzenecarbothioamide, 3-bromo-4-(2-methylpropoxy)-
CAS Number:
208665-96-7
Molecular Formula:
C11H14BrNOS
Molecular Weight:
288.2040
MDL Number:
MFCD12911898
IUPAC Name:
3-bromo-4-(2-methylpropoxy)benzenecarbothioamide
InChI:
InChI=1S/C11H14BrNOS/c1-7(2)6-14-10-4-3-8(11(13)15)5-9(10)12/h3-5,7H,6H2,1-2H3,(H2,13,15)
InChI Key:
FLDZQWXTSSWIAK-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1Br)C(=S)N)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.998g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.203g/mol
Monoisotopic Mass:
286.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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