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1443310-02-8 | 3-iso-Butoxy-5-fluorobenzoyl chloride
CAS No: 1443310-02-8 Catalog No: AG01FD4S MDL No:
Product Description
Catalog Number:
AG01FD4S
Chemical Name:
3-iso-Butoxy-5-fluorobenzoyl chloride
CAS Number:
1443310-02-8
Molecular Formula:
C11H12ClFO2
Molecular Weight:
230.6632
IUPAC Name:
3-fluoro-5-(2-methylpropoxy)benzoyl chloride
InChI:
InChI=1S/C11H12ClFO2/c1-7(2)6-15-10-4-8(11(12)14)3-9(13)5-10/h3-5,7H,6H2,1-2H3
InChI Key:
IVEQROOISVZFRN-UHFFFAOYSA-N
SMILES:
CC(COc1cc(F)cc(c1)C(=O)Cl)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.663g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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