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114545-25-4 | Thiocyanic acid, 3,5-dibromophenyl ester
CAS No: 114545-25-4 Catalog No: AG000END MDL No:
Product Description
Catalog Number:
AG000END
Chemical Name:
Thiocyanic acid, 3,5-dibromophenyl ester
CAS Number:
114545-25-4
Molecular Formula:
C7H3Br2NS
Molecular Weight:
292.9784
IUPAC Name:
(3,5-dibromophenyl) thiocyanate
InChI:
InChI=1S/C7H3Br2NS/c8-5-1-6(9)3-7(2-5)11-4-10/h1-3H
InChI Key:
QDXOCNDXUFJBER-UHFFFAOYSA-N
SMILES:
N#CSc1cc(Br)cc(c1)Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.833g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.976g/mol
Monoisotopic Mass:
290.835g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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