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41425-60-9,MFCD02253419
Catalog No.:AA019NDC
41425-60-9 | 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
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1g
95.0%
3 weeks  
$914.00
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Technical Information
Catalog Number:
AA019NDC
Chemical Name:
4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
CAS Number:
41425-60-9
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
MDL Number:
MFCD02253419
IUPAC Name:
4-(bromomethyl)-2-phenyltriazole
InChI:
InChI=1S/C9H8BrN3/c10-6-8-7-11-13(12-8)9-4-2-1-3-5-9/h1-5,7H,6H2
InChI Key:
UTQJRGAXADNRCO-UHFFFAOYSA-N
SMILES:
BrCc1cnn(n1)c1ccccc1
Properties
Computed 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:
2.5  

Synonyms
 
4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole 
41425-60-9 
DTXSID70351753 
UTQJRGAXADNRCO-UHFFFAOYSA-N 
AKOS009246305 
MCULE-3898735307 
NE36172 
DA-06012 
ST036933 
4-(bromomethyl)-2-phenyl-1,2,3-triazole 
FT-0743233 
4-bromo-methyl-2-phenyl-2h-1,2,3-triazole 
4-(bromomethyl)-2-phenyltriazole 
EN300-40322 
CID708483 
ZINC00097124 
2H-1,2,3-Triazole, 4-(bromomethyl)-2-phenyl- 
AC1LE99S 
2H-1,2,3-Triazole,4-(bromomethyl)-2-phenyl- 
AC1Q27O0 
SCHEMBL1514733 
CTK1D3856 
ZINC97124 
Literature
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