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1394119-49-3 | 4-Pyrimidinamine, N-(5-bromo-2-nitrophenyl)-2-chloro-
CAS No: 1394119-49-3 Catalog No: AG001AZ0 MDL No:
Product Description
Catalog Number:
AG001AZ0
Chemical Name:
4-Pyrimidinamine, N-(5-bromo-2-nitrophenyl)-2-chloro-
CAS Number:
1394119-49-3
Molecular Formula:
C10H6BrClN4O2
Molecular Weight:
329.5372
IUPAC Name:
N-(5-bromo-2-nitrophenyl)-2-chloropyrimidin-4-amine
InChI:
InChI=1S/C10H6BrClN4O2/c11-6-1-2-8(16(17)18)7(5-6)14-9-3-4-13-10(12)15-9/h1-5H,(H,13,14,15)
InChI Key:
AKCMJGJYTFFZJU-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Nc1ccnc(n1)Cl)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.936g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.538g/mol
Monoisotopic Mass:
327.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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