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191728-86-6

191728-86-6 | 2-Chloro-N-(3-methoxyphenyl)pyrimidin-4-amine

CAS No: 191728-86-6 Catalog No: AG01FAGV MDL No:

Product Description

Catalog Number:
AG01FAGV
Chemical Name:
2-Chloro-N-(3-methoxyphenyl)pyrimidin-4-amine
CAS Number:
191728-86-6
Molecular Formula:
C11H10ClN3O
Molecular Weight:
235.6696
IUPAC Name:
2-chloro-N-(3-methoxyphenyl)pyrimidin-4-amine
InChI:
InChI=1S/C11H10ClN3O/c1-16-9-4-2-3-8(7-9)14-10-5-6-13-11(12)15-10/h2-7H,1H3,(H,13,14,15)
InChI Key:
LKXKUDIRTBOIPA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Nc1ccnc(n1)Cl

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.671g/mol
Monoisotopic Mass:
235.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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