200,000+ products from a single source!
sales@angenechem.com
1126-46-1 | 4-Chlorobenzoic Acid Methyl Ester
CAS No: 1126-46-1 Catalog No: AG0033ZX MDL No:MFCD00000621
Product Description
Catalog Number:
AG0033ZX
Chemical Name:
4-Chlorobenzoic Acid Methyl Ester
CAS Number:
1126-46-1
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00000621
IUPAC Name:
methyl 4-chlorobenzoate
InChI:
InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:
LXNFVVDCCWUUKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Cl
EC Number:
214-420-9
UNII:
M0U80J80VA
NSC Number:
8366
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Identification of inhibitors of the Leishmania cdc2-related protein kinase CRK3. | ChemMedChem 20111209 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.