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190648-99-8 | Carbamothioic acid, dimethyl-, O-(4-bromo-2-fluorophenyl) ester (9CI)
CAS No: 190648-99-8 Catalog No: AG002EPS MDL No:MFCD09258772
Product Description
Catalog Number:
AG002EPS
Chemical Name:
Carbamothioic acid, dimethyl-, O-(4-bromo-2-fluorophenyl) ester (9CI)
CAS Number:
190648-99-8
Molecular Formula:
C9H9BrFNOS
Molecular Weight:
278.1413
MDL Number:
MFCD09258772
IUPAC Name:
O-(4-bromo-2-fluorophenyl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C9H9BrFNOS/c1-12(2)9(14)13-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChI Key:
ONIVRSHXEFYTEM-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)OC(=S)N(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.139g/mol
Monoisotopic Mass:
276.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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