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1237084-18-2 | Benzoic acid, 2-chloro-4-(cyclopropylmethoxy)-
CAS No: 1237084-18-2 Catalog No: AG000KZF MDL No:MFCD17256604
Product Description
Catalog Number:
AG000KZF
Chemical Name:
Benzoic acid, 2-chloro-4-(cyclopropylmethoxy)-
CAS Number:
1237084-18-2
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
MDL Number:
MFCD17256604
IUPAC Name:
2-chloro-4-(cyclopropylmethoxy)benzoic acid
InChI:
InChI=1S/C11H11ClO3/c12-10-5-8(15-6-7-1-2-7)3-4-9(10)11(13)14/h3-5,7H,1-2,6H2,(H,13,14)
InChI Key:
FASUFPFYKBHCRC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)OCC1CC1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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