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1443339-85-2 | 4-n-Butoxy-3-chlorobenzoyl chloride
CAS No: 1443339-85-2 Catalog No: AG01FDY4 MDL No:
Product Description
Catalog Number:
AG01FDY4
Chemical Name:
4-n-Butoxy-3-chlorobenzoyl chloride
CAS Number:
1443339-85-2
Molecular Formula:
C11H12Cl2O2
Molecular Weight:
247.1178
IUPAC Name:
4-butoxy-3-chlorobenzoyl chloride
InChI:
InChI=1S/C11H12Cl2O2/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7H,2-3,6H2,1H3
InChI Key:
SWZJWRWYNIHQGC-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)C(=O)Cl
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.115g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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