200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 168619-01-0
168619-01-0 | Benzoic acid, 3-(4-pyrimidinyl)-, methyl ester
CAS No: 168619-01-0 Catalog No: AG001Y6U MDL No:MFCD12402813
Product Description
Catalog Number:
AG001Y6U
Chemical Name:
Benzoic acid, 3-(4-pyrimidinyl)-, methyl ester
CAS Number:
168619-01-0
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD12402813
IUPAC Name:
methyl 3-pyrimidin-4-ylbenzoate
InChI:
InChI=1S/C12H10N2O2/c1-16-12(15)10-4-2-3-9(7-10)11-5-6-13-8-14-11/h2-8H,1H3
InChI Key:
IUJPGEFKXSUZTK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccncn1
Properties
Complexity:
245
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:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.