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1159818-57-1 | 4-Pyrimidinamine, 6-bromo-
CAS No: 1159818-57-1 Catalog No: AG000HAE MDL No:MFCD00233963
Product Description
Catalog Number:
AG000HAE
Chemical Name:
4-Pyrimidinamine, 6-bromo-
CAS Number:
1159818-57-1
Molecular Formula:
C4H4BrN3
Molecular Weight:
173.9987
MDL Number:
MFCD00233963
IUPAC Name:
6-bromopyrimidin-4-amine
InChI:
InChI=1S/C4H4BrN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
InChI Key:
ZHTZYBZECZEMFQ-UHFFFAOYSA-N
SMILES:
Nc1ncnc(c1)Br
Properties
Complexity:
77.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.959g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.001g/mol
Monoisotopic Mass:
172.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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