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100859-51-6 | 2-Heptyne, 1-chloro-
CAS No: 100859-51-6 Catalog No: AG000312 MDL No:MFCD19232103
Product Description
Catalog Number:
AG000312
Chemical Name:
2-Heptyne, 1-chloro-
CAS Number:
100859-51-6
Molecular Formula:
C7H11Cl
Molecular Weight:
130.6152
MDL Number:
MFCD19232103
IUPAC Name:
1-chlorohept-2-yne
InChI:
InChI=1S/C7H11Cl/c1-2-3-4-5-6-7-8/h2-4,7H2,1H3
InChI Key:
ZFOFWJPYDYZWCS-UHFFFAOYSA-N
SMILES:
CCCCC#CCCl
NSC Number:
147124
Properties
Complexity:
93.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.055g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.615g/mol
Monoisotopic Mass:
130.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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