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NSC45042

CAS No.:
6299-83-8
Catalog Number:
AG00EIDQ
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
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Product Description
Catalog Number:
AG00EIDQ
Chemical Name:
NSC45042
CAS Number:
6299-83-8
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
MDL Number:
MFCD13195452
IUPAC Name:
methyl 2-amino-6-chloropyrimidine-4-carboxylate
InChI:
InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3,(H2,8,9,10)
InChI Key:
FLKRTPIQMUGYRO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)nc(n1)N
NSC Number:
45042
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.583g/mol
Monoisotopic Mass:
187.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties