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89049-18-3 | Thiocyanic acid, 1-(bromomethylene)butyl ester
CAS No: 89049-18-3 Catalog No: AG0042DQ MDL No:
Product Description
Catalog Number:
AG0042DQ
Chemical Name:
Thiocyanic acid, 1-(bromomethylene)butyl ester
CAS Number:
89049-18-3
Molecular Formula:
C6H8BrNS
Molecular Weight:
206.1034
IUPAC Name:
1-bromopent-1-en-2-yl thiocyanate
InChI:
InChI=1S/C6H8BrNS/c1-2-3-6(4-7)9-5-8/h4H,2-3H2,1H3
InChI Key:
JYHNSLNZSJGZRC-UHFFFAOYSA-N
SMILES:
CCCC(=CBr)SC#N
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.956g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.101g/mol
Monoisotopic Mass:
204.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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