Home Halogens 4-(bromomethyl)-1-phenyl-1H-1,2,3-triazole

4-(bromomethyl)-1-phenyl-1H-1,2,3-triazole

CAS No.:
58432-26-1
Catalog Number:
AG01A9M0
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
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Product Description
Catalog Number:
AG01A9M0
Chemical Name:
4-(bromomethyl)-1-phenyl-1H-1,2,3-triazole
CAS Number:
58432-26-1
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
MDL Number:
MFCD16622139
IUPAC Name:
4-(bromomethyl)-1-phenyltriazole
InChI:
InChI=1S/C9H8BrN3/c10-6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-5,7H,6H2
InChI Key:
ZIGZFVQFYCRRGD-UHFFFAOYSA-N
SMILES:
BrCc1nnn(c1)c1ccccc1
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.088g/mol
Monoisotopic Mass:
236.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties