200,000+ products from a single source!
sales@angenechem.com
893734-17-3 | Methyl 4-(5-pyrimidinyl)benzoate
CAS No: 893734-17-3 Catalog No: AG01FERY MDL No:
Product Description
Catalog Number:
AG01FERY
Chemical Name:
Methyl 4-(5-pyrimidinyl)benzoate
CAS Number:
893734-17-3
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
methyl 4-pyrimidin-5-ylbenzoate
InChI:
InChI=1S/C12H10N2O2/c1-16-12(15)10-4-2-9(3-5-10)11-6-13-8-14-7-11/h2-8H,1H3
InChI Key:
AACXPPWKQLQUCA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1cncnc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
© 2019 Angene International Limited. All rights Reserved.