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74039-48-8 | Sulfurous acid, butyl4-chloro-2-butyn-1-yl ester
CAS No: 74039-48-8 Catalog No: AG005I74 MDL No:
Product Description
Catalog Number:
AG005I74
Chemical Name:
Sulfurous acid, butyl4-chloro-2-butyn-1-yl ester
CAS Number:
74039-48-8
Molecular Formula:
C8H12ClO3S-
Molecular Weight:
223.6971
IUPAC Name:
butyl 4-chlorobut-2-ynyl sulfite
InChI:
InChI=1S/C8H13ClO3S/c1-2-3-7-11-13(10)12-8-5-4-6-9/h2-3,6-8H2,1H3
InChI Key:
SZVRKTGCNHSCHA-UHFFFAOYSA-N
SMILES:
CCCCC(C#CCOS(=O)[O-])Cl
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.699g/mol
Monoisotopic Mass:
224.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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