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13322-02-6 | 2H-1,2,3-Triazole, 4-(bromomethyl)-5-methyl-2-phenyl-
CAS No: 13322-02-6 Catalog No: AG0014FM MDL No:MFCD02681925
Product Description
Catalog Number:
AG0014FM
Chemical Name:
2H-1,2,3-Triazole, 4-(bromomethyl)-5-methyl-2-phenyl-
CAS Number:
13322-02-6
Molecular Formula:
C10H10BrN3
Molecular Weight:
252.1105
MDL Number:
MFCD02681925
IUPAC Name:
4-(bromomethyl)-5-methyl-2-phenyltriazole
InChI:
InChI=1S/C10H10BrN3/c1-8-10(7-11)13-14(12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
UXRCTMMLJAMVLG-UHFFFAOYSA-N
SMILES:
BrCc1nn(nc1C)c1ccccc1
NSC Number:
362341
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.115g/mol
Monoisotopic Mass:
251.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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