Home Carboxys 5-Chloropyrimidine-2-carboxylic acid methyl ester

5-Chloropyrimidine-2-carboxylic acid methyl ester

CAS No.:
894797-00-3
Catalog Number:
AG00IFQS
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$63
- +
250mg
95%
In Stock USA
United States
$123
- +
1g
95%
In Stock USA
United States
$239
- +
5g
95%
In Stock USA
United States
$836
- +
Product Description
Catalog Number:
AG00IFQS
Chemical Name:
5-Chloropyrimidine-2-carboxylic acid methyl ester
CAS Number:
894797-00-3
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD16611603
IUPAC Name:
methyl 5-chloropyrimidine-2-carboxylate
InChI:
InChI=1S/C6H5ClN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3
InChI Key:
RGKJCTJQIOYUBM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cn1)Cl
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties