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499770-76-2

499770-76-2 | 5-(Bromomethyl)-1-methyl-1H-benzo[d][1,2,3]triazole

CAS No: 499770-76-2 Catalog No: AG0038P8 MDL No:MFCD03407338

Product Description

Catalog Number:
AG0038P8
Chemical Name:
5-(Bromomethyl)-1-methyl-1H-benzo[d][1,2,3]triazole
CAS Number:
499770-76-2
Molecular Formula:
C8H8BrN3
Molecular Weight:
226.0732
MDL Number:
MFCD03407338
IUPAC Name:
5-(bromomethyl)-1-methylbenzotriazole
InChI:
InChI=1S/C8H8BrN3/c1-12-8-3-2-6(5-9)4-7(8)10-11-12/h2-4H,5H2,1H3
InChI Key:
OSUZHHPMRAIJDY-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)nnn2C

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.99g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.077g/mol
Monoisotopic Mass:
224.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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