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83170-18-7 | Benzene, 1-[(bromodifluoromethyl)thio]-2-methoxy-
CAS No: 83170-18-7 Catalog No: AG004VOY MDL No:
Product Description
Catalog Number:
AG004VOY
Chemical Name:
Benzene, 1-[(bromodifluoromethyl)thio]-2-methoxy-
CAS Number:
83170-18-7
Molecular Formula:
C8H7BrF2OS
Molecular Weight:
269.1064
IUPAC Name:
1-[bromo(difluoro)methyl]sulfanyl-2-methoxybenzene
InChI:
InChI=1S/C8H7BrF2OS/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5H,1H3
InChI Key:
DERXXZUXNJSNAE-UHFFFAOYSA-N
SMILES:
COc1ccccc1SC(Br)(F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.104g/mol
Monoisotopic Mass:
267.937g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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