Home Halogens 4-PyriMidinecarboxylic acid, 6-aMino-5-chloro-, ethyl ester

4-PyriMidinecarboxylic acid, 6-aMino-5-chloro-, ethyl ester

CAS No.:
1097250-86-6
Catalog Number:
AG008TCM
Molecular Formula:
C7H8ClN3O2
Molecular Weight:
201.6103
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Product Description
Catalog Number:
AG008TCM
Chemical Name:
4-PyriMidinecarboxylic acid, 6-aMino-5-chloro-, ethyl ester
CAS Number:
1097250-86-6
Molecular Formula:
C7H8ClN3O2
Molecular Weight:
201.6103
MDL Number:
MFCD22576178
IUPAC Name:
ethyl 6-amino-5-chloropyrimidine-4-carboxylate
InChI:
InChI=1S/C7H8ClN3O2/c1-2-13-7(12)5-4(8)6(9)11-3-10-5/h3H,2H2,1H3,(H2,9,10,11)
InChI Key:
NGDZPGIARMPAAO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncnc(c1Cl)N
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.61g/mol
Monoisotopic Mass:
201.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties