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29772-02-9 | Benzene, 1-chloro-4-[[(3-iodo-2-propyn-1-yl)oxy]methoxy]-
CAS No: 29772-02-9 Catalog No: AG000Y8K MDL No:
Product Description
Catalog Number:
AG000Y8K
Chemical Name:
Benzene, 1-chloro-4-[[(3-iodo-2-propyn-1-yl)oxy]methoxy]-
CAS Number:
29772-02-9
Molecular Formula:
C10H8ClIO2
Molecular Weight:
322.5268
IUPAC Name:
1-chloro-4-(3-iodoprop-2-ynoxymethoxy)benzene
InChI:
InChI=1S/C10H8ClIO2/c11-9-2-4-10(5-3-9)14-8-13-7-1-6-12/h2-5H,7-8H2
InChI Key:
KQLBUIOMHNFZMD-UHFFFAOYSA-N
SMILES:
IC#CCOCOc1ccc(cc1)Cl
EC Number:
249-838-0
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.926g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.526g/mol
Monoisotopic Mass:
321.926g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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