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1237141-26-2 | Benzoic acid, 2-chloro-4-(2-furanyl)-
CAS No: 1237141-26-2 Catalog No: AG000KZB MDL No:MFCD18318841
Product Description
Catalog Number:
AG000KZB
Chemical Name:
Benzoic acid, 2-chloro-4-(2-furanyl)-
CAS Number:
1237141-26-2
Molecular Formula:
C11H7ClO3
Molecular Weight:
222.6245
MDL Number:
MFCD18318841
IUPAC Name:
2-chloro-4-(furan-2-yl)benzoic acid
InChI:
InChI=1S/C11H7ClO3/c12-9-6-7(10-2-1-5-15-10)3-4-8(9)11(13)14/h1-6H,(H,13,14)
InChI Key:
ZAZIBKXDHKSTIZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccco1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.008g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.624g/mol
Monoisotopic Mass:
222.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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