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5139-89-9 | 4-Phenoxybutyryl chloride
CAS No: 5139-89-9 Catalog No: AG003LYU MDL No:
Product Description
Catalog Number:
AG003LYU
Chemical Name:
4-Phenoxybutyryl chloride
CAS Number:
5139-89-9
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
IUPAC Name:
4-phenoxybutanoyl chloride
InChI:
InChI=1S/C10H11ClO2/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:
SYLRFDTUTMLVNM-UHFFFAOYSA-N
SMILES:
ClC(=O)CCCOc1ccccc1
EC Number:
225-903-9
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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