Home Halogens 2-Butyne, 1-chloro-4-methoxy-

2-Butyne, 1-chloro-4-methoxy-

CAS No.:
693-27-6
Catalog Number:
AG005NR4
Molecular Formula:
C5H7ClO
Molecular Weight:
118.5615
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Product Description
Catalog Number:
AG005NR4
Chemical Name:
2-Butyne, 1-chloro-4-methoxy-
CAS Number:
693-27-6
Molecular Formula:
C5H7ClO
Molecular Weight:
118.5615
MDL Number:
MFCD19232090
IUPAC Name:
1-chloro-4-methoxybut-2-yne
InChI:
InChI=1S/C5H7ClO/c1-7-5-3-2-4-6/h4-5H2,1H3
InChI Key:
VTLCLYKXNBWOJM-UHFFFAOYSA-N
SMILES:
COCC#CCCl
Properties
Complexity:
86.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.019g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.56g/mol
Monoisotopic Mass:
118.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties