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1086379-66-9 | 3-[(2-Chloropyrimidin-4-yl)oxy]benzoic acid
CAS No: 1086379-66-9 Catalog No: AG01FATN MDL No:
Product Description
Catalog Number:
AG01FATN
Chemical Name:
3-[(2-Chloropyrimidin-4-yl)oxy]benzoic acid
CAS Number:
1086379-66-9
Molecular Formula:
C11H7ClN2O3
Molecular Weight:
250.6379
IUPAC Name:
3-(2-chloropyrimidin-4-yl)oxybenzoic acid
InChI:
InChI=1S/C11H7ClN2O3/c12-11-13-5-4-9(14-11)17-8-3-1-2-7(6-8)10(15)16/h1-6H,(H,15,16)
InChI Key:
DDJBNNXIOUMIJH-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)Oc1cccc(c1)C(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.638g/mol
Monoisotopic Mass:
250.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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