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89049-24-1 | Thiocyanic acid, 2-bromo-3-methoxy-1-propenyl ester
CAS No: 89049-24-1 Catalog No: AG0041O7 MDL No:
Product Description
Catalog Number:
AG0041O7
Chemical Name:
Thiocyanic acid, 2-bromo-3-methoxy-1-propenyl ester
CAS Number:
89049-24-1
Molecular Formula:
C5H6BrNOS
Molecular Weight:
208.0762
IUPAC Name:
(2-bromo-3-methoxyprop-1-enyl) thiocyanate
InChI:
InChI=1S/C5H6BrNOS/c1-8-2-5(6)3-9-4-7/h3H,2H2,1H3
InChI Key:
ITIXERDQCSBMKB-UHFFFAOYSA-N
SMILES:
COCC(=CSC#N)Br
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.935g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.073g/mol
Monoisotopic Mass:
206.935g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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