200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 202591-85-3
202591-85-3 | Carbonochloridic acid, 2-butyn-1-yl ester
CAS No: 202591-85-3 Catalog No: AG0028BD MDL No:MFCD00274353
Product Description
Catalog Number:
AG0028BD
Chemical Name:
Carbonochloridic acid, 2-butyn-1-yl ester
CAS Number:
202591-85-3
Molecular Formula:
C5H5ClO2
Molecular Weight:
132.5450
MDL Number:
MFCD00274353
IUPAC Name:
but-2-ynyl carbonochloridate
InChI:
InChI=1S/C5H5ClO2/c1-2-3-4-8-5(6)7/h4H2,1H3
InChI Key:
MFKKPMUEGDJJSL-UHFFFAOYSA-N
SMILES:
CC#CCOC(=O)Cl
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.998g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.543g/mol
Monoisotopic Mass:
131.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Use of Linear Free Energy Relationships (LFERs) to elucidate the mechanisms of reaction of a γ-methyl-β-alkynyl and an ortho-substituted aryl chloroformate ester. | International journal of molecular sciences 20120101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.