Home Halogens (4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)methanol

(4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)methanol

CAS No.:
1698267-51-4
Catalog Number:
AG01ALIB
Molecular Formula:
C4H6BrN3O
Molecular Weight:
192.0139
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Product Description
Catalog Number:
AG01ALIB
Chemical Name:
(4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CAS Number:
1698267-51-4
Molecular Formula:
C4H6BrN3O
Molecular Weight:
192.0139
MDL Number:
MFCD28968203
IUPAC Name:
(5-bromo-3-methyltriazol-4-yl)methanol
InChI:
InChI=1S/C4H6BrN3O/c1-8-3(2-9)4(5)6-7-8/h9H,2H2,1H3
InChI Key:
DNPSGQZGGCKCAL-UHFFFAOYSA-N
SMILES:
OCc1c(Br)nnn1C
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.969g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.016g/mol
Monoisotopic Mass:
190.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties