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1280786-73-3 | Benzoic acid, 4-chloro-3-(2-methylpropoxy)-
CAS No: 1280786-73-3 Catalog No: AG000XRP MDL No:MFCD18434436
Product Description
Catalog Number:
AG000XRP
Chemical Name:
Benzoic acid, 4-chloro-3-(2-methylpropoxy)-
CAS Number:
1280786-73-3
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
MDL Number:
MFCD18434436
IUPAC Name:
4-chloro-3-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C11H13ClO3/c1-7(2)6-15-10-5-8(11(13)14)3-4-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
MIHGERMEJSCGDA-UHFFFAOYSA-N
SMILES:
CC(COc1cc(ccc1Cl)C(=O)O)C
Properties
Complexity:
218
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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