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1237071-48-5 | 2-Chloro-5-butylbenzoic acid
CAS No: 1237071-48-5 Catalog No: AG01FF9M MDL No:MFCD16817653
Product Description
Catalog Number:
AG01FF9M
Chemical Name:
2-Chloro-5-butylbenzoic acid
CAS Number:
1237071-48-5
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD16817653
IUPAC Name:
5-butyl-2-chlorobenzoic acid
InChI:
InChI=1S/C11H13ClO2/c1-2-3-4-8-5-6-10(12)9(7-8)11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChI Key:
JZAYPFCMBPFBCY-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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