Home Halogens 5-bromo-2-(dimethylamino)pyrimidine-4-carboxylic acid

5-bromo-2-(dimethylamino)pyrimidine-4-carboxylic acid

CAS No.:
914208-45-0
Catalog Number:
AG01E2S8
Molecular Formula:
C7H8BrN3O2
Molecular Weight:
246.0613
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Product Description
Catalog Number:
AG01E2S8
Chemical Name:
5-bromo-2-(dimethylamino)pyrimidine-4-carboxylic acid
CAS Number:
914208-45-0
Molecular Formula:
C7H8BrN3O2
Molecular Weight:
246.0613
MDL Number:
MFCD08690773
IUPAC Name:
5-bromo-2-(dimethylamino)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H8BrN3O2/c1-11(2)7-9-3-4(8)5(10-7)6(12)13/h3H,1-2H3,(H,12,13)
InChI Key:
VXAFRZOSKKWZTI-UHFFFAOYSA-N
SMILES:
CN(c1ncc(c(n1)C(=O)O)Br)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.98g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.064g/mol
Monoisotopic Mass:
244.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties