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1255939-58-2

1255939-58-2 | 5H-Pyrrolo[3,2-d]pyrimidine, 7-bromo-4-chloro-5-methyl-

CAS No: 1255939-58-2 Catalog No: AG000NX2 MDL No:

Product Description

Catalog Number:
AG000NX2
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine, 7-bromo-4-chloro-5-methyl-
CAS Number:
1255939-58-2
Molecular Formula:
C7H5BrClN3
Molecular Weight:
246.4917
IUPAC Name:
7-bromo-4-chloro-5-methylpyrrolo[3,2-d]pyrimidine
InChI:
InChI=1S/C7H5BrClN3/c1-12-2-4(8)5-6(12)7(9)11-3-10-5/h2-3H,1H3
InChI Key:
HCTVKWPEVANMLG-UHFFFAOYSA-N
SMILES:
Cn1cc(c2c1c(Cl)ncn2)Br

Properties

Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.936g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.492g/mol
Monoisotopic Mass:
244.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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