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113674-67-2

113674-67-2 | Acetic acid, 6-amino-4-chloro-2-imino-1(2H)-pyrimidinyl ester

CAS No: 113674-67-2 Catalog No: AG00099G MDL No:

Product Description

Catalog Number:
AG00099G
Chemical Name:
Acetic acid, 6-amino-4-chloro-2-imino-1(2H)-pyrimidinyl ester
CAS Number:
113674-67-2
Molecular Formula:
C6H7ClN4O2
Molecular Weight:
202.5984
IUPAC Name:
(6-amino-4-chloro-2-iminopyrimidin-1-yl) acetate
InChI:
InChI=1S/C6H7ClN4O2/c1-3(12)13-11-5(8)2-4(7)10-6(11)9/h2,9H,8H2,1H3
InChI Key:
YDJAPSOKLLXXBT-UHFFFAOYSA-N
SMILES:
CC(=O)On1c(N)cc(nc1=N)Cl

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.026g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
202.598g/mol
Monoisotopic Mass:
202.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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