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138220-09-4 | Benzene, 1-chloro-2-fluoro-4-[2-(4-pentylphenyl)ethynyl]-
CAS No: 138220-09-4 Catalog No: AG0018BI MDL No:
Product Description
Catalog Number:
AG0018BI
Chemical Name:
Benzene, 1-chloro-2-fluoro-4-[2-(4-pentylphenyl)ethynyl]-
CAS Number:
138220-09-4
Molecular Formula:
C19H18ClF
Molecular Weight:
300.7976
IUPAC Name:
1-chloro-2-fluoro-4-[2-(4-pentylphenyl)ethynyl]benzene
InChI:
InChI=1S/C19H18ClF/c1-2-3-4-5-15-6-8-16(9-7-15)10-11-17-12-13-18(20)19(21)14-17/h6-9,12-14H,2-5H2,1H3
InChI Key:
YFPOBZSQFMRZBC-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C#Cc1ccc(c(c1)F)Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.801g/mol
Monoisotopic Mass:
300.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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