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858955-38-1

858955-38-1 | 6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

CAS No: 858955-38-1 Catalog No: AG004WV6 MDL No:MFCD08704343

Product Description

Catalog Number:
AG004WV6
Chemical Name:
6-Amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
CAS Number:
858955-38-1
Molecular Formula:
C11H7Cl2N3O2
Molecular Weight:
284.0982
MDL Number:
MFCD08704343
IUPAC Name:
6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C11H7Cl2N3O2/c12-6-3-1-5(2-4-6)10-15-8(11(17)18)7(13)9(14)16-10/h1-4H,(H,17,18)(H2,14,15,16)
InChI Key:
IFNGRCNEIXJJOA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(N)c(c(n1)C(=O)O)Cl

Properties

Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.992g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.096g/mol
Monoisotopic Mass:
282.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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