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856867-65-7 | [1-(5-Bromo-pyridin-2-yl)-1H-[1,2,3]triazol-4-yl]-methanol
CAS No: 856867-65-7 Catalog No: AG01F75Z MDL No:
Product Description
Catalog Number:
AG01F75Z
Chemical Name:
[1-(5-Bromo-pyridin-2-yl)-1H-[1,2,3]triazol-4-yl]-methanol
CAS Number:
856867-65-7
Molecular Formula:
C8H7BrN4O
Molecular Weight:
255.0714
IUPAC Name:
[1-(5-bromopyridin-2-yl)triazol-4-yl]methanol
InChI:
InChI=1S/C8H7BrN4O/c9-6-1-2-8(10-3-6)13-4-7(5-14)11-12-13/h1-4,14H,5H2
InChI Key:
AWUOZENZKHRTJE-UHFFFAOYSA-N
SMILES:
OCc1nnn(c1)c1ccc(cn1)Br
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.075g/mol
Monoisotopic Mass:
253.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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