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139411-87-3 | 1-Propyne, dichloro- (9CI)
CAS No: 139411-87-3 Catalog No: AG001AZC MDL No:
Product Description
Catalog Number:
AG001AZC
Chemical Name:
1-Propyne, dichloro- (9CI)
CAS Number:
139411-87-3
Molecular Formula:
C3H2Cl2
Molecular Weight:
108.9540
IUPAC Name:
1,3-dichloroprop-1-yne
InChI:
InChI=1S/C3H2Cl2/c4-2-1-3-5/h2H2
InChI Key:
QZNMPRPWDXTEQJ-UHFFFAOYSA-N
SMILES:
ClCC#CCl
Properties
Complexity:
63.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.953g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.949g/mol
Monoisotopic Mass:
107.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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