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270582-34-8 | 4-n-Butoxy-3-chlorobenzoic acid
CAS No: 270582-34-8 Catalog No: AG01FEYD MDL No:
Product Description
Catalog Number:
AG01FEYD
Chemical Name:
4-n-Butoxy-3-chlorobenzoic acid
CAS Number:
270582-34-8
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
IUPAC Name:
4-butoxy-3-chlorobenzoic acid
InChI:
InChI=1S/C11H13ClO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
MTQKNZWOYOFAKV-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)C(=O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.672g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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