200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1159822-80-6
1159822-80-6 | Benzoic acid, 2-[(4-chloro-2-pyrimidinyl)oxy]-, methyl ester
CAS No: 1159822-80-6 Catalog No: AG000HB5 MDL No:
Product Description
Catalog Number:
AG000HB5
Chemical Name:
Benzoic acid, 2-[(4-chloro-2-pyrimidinyl)oxy]-, methyl ester
CAS Number:
1159822-80-6
Molecular Formula:
C12H9ClN2O3
Molecular Weight:
264.6645
IUPAC Name:
methyl 2-(4-chloropyrimidin-2-yl)oxybenzoate
InChI:
InChI=1S/C12H9ClN2O3/c1-17-11(16)8-4-2-3-5-9(8)18-12-14-7-6-10(13)15-12/h2-7H,1H3
InChI Key:
GCBMVEVLKOCOQC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1Oc1nccc(n1)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.665g/mol
Monoisotopic Mass:
264.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.