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886360-54-9 | 4-(3-Bromothiophen-2-yl);pyrimidin-2-amine
CAS No: 886360-54-9 Catalog No: AG004A5E MDL No:MFCD03791202
Product Description
Catalog Number:
AG004A5E
Chemical Name:
4-(3-Bromothiophen-2-yl);pyrimidin-2-amine
CAS Number:
886360-54-9
Molecular Formula:
C8H6BrN3S
Molecular Weight:
256.1223
MDL Number:
MFCD03791202
IUPAC Name:
4-(3-bromothiophen-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C8H6BrN3S/c9-5-2-4-13-7(5)6-1-3-11-8(10)12-6/h1-4H,(H2,10,11,12)
InChI Key:
WQDYKJLLDIMPHU-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)c1sccc1Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.947g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.121g/mol
Monoisotopic Mass:
254.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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