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13280-07-4 | 2-Butyn-1-ol, 4-chloro-
CAS No: 13280-07-4 Catalog No: AG00117F MDL No:MFCD01656722
Product Description
Catalog Number:
AG00117F
Chemical Name:
2-Butyn-1-ol, 4-chloro-
CAS Number:
13280-07-4
Molecular Formula:
C4H5ClO
Molecular Weight:
104.5349
MDL Number:
MFCD01656722
IUPAC Name:
4-chlorobut-2-yn-1-ol
InChI:
InChI=1S/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H2
InChI Key:
RPUJAOFSZSEVPC-UHFFFAOYSA-N
SMILES:
OCC#CCCl
Properties
Complexity:
76
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.003g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
104.533g/mol
Monoisotopic Mass:
104.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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