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205672-25-9 | 4-Pyrimidinamine, 5-bromo-2-chloro-
CAS No: 205672-25-9 Catalog No: AG002AA1 MDL No:MFCD07782040
Product Description
Catalog Number:
AG002AA1
Chemical Name:
4-Pyrimidinamine, 5-bromo-2-chloro-
CAS Number:
205672-25-9
Molecular Formula:
C4H3BrClN3
Molecular Weight:
208.4437
MDL Number:
MFCD07782040
IUPAC Name:
5-bromo-2-chloropyrimidin-4-amine
InChI:
InChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
InChI Key:
QOWALNIZDHZTSM-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)N)Br
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.443g/mol
Monoisotopic Mass:
206.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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