200,000+ products from a single source!
sales@angenechem.com
773139-06-3 | Benzoic acid, 2-chloro-6-methyl-, ethyl ester
CAS No: 773139-06-3 Catalog No: AG01FAI4 MDL No:
Product Description
Catalog Number:
AG01FAI4
Chemical Name:
Benzoic acid, 2-chloro-6-methyl-, ethyl ester
CAS Number:
773139-06-3
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
IUPAC Name:
ethyl 2-chloro-6-methylbenzoate
InChI:
InChI=1S/C10H11ClO2/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h4-6H,3H2,1-2H3
InChI Key:
DUKSBWBJTZVOPF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cccc1Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
© 2019 Angene International Limited. All rights Reserved.