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892501-93-8 | Benzoyl chloride,4-[(tetrahydro-2H-pyran-4-yl)oxy]-
CAS No: 892501-93-8 Catalog No: AG0041V8 MDL No:
Product Description
Catalog Number:
AG0041V8
Chemical Name:
Benzoyl chloride,4-[(tetrahydro-2H-pyran-4-yl)oxy]-
CAS Number:
892501-93-8
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
IUPAC Name:
4-(oxan-4-yloxy)benzoyl chloride
InChI:
InChI=1S/C12H13ClO3/c13-12(14)9-1-3-10(4-2-9)16-11-5-7-15-8-6-11/h1-4,11H,5-8H2
InChI Key:
YTRCHFVXEUWTFK-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)OC1CCOCC1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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