Home Halogens 1H-Benzotriazole, 5-bromo-7-methoxy-1-methyl-

1H-Benzotriazole, 5-bromo-7-methoxy-1-methyl-

CAS No.:
1799973-82-2
Catalog Number:
AG0021K3
Molecular Formula:
C8H8BrN3O
Molecular Weight:
242.0726
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Product Description
Catalog Number:
AG0021K3
Chemical Name:
1H-Benzotriazole, 5-bromo-7-methoxy-1-methyl-
CAS Number:
1799973-82-2
Molecular Formula:
C8H8BrN3O
Molecular Weight:
242.0726
MDL Number:
MFCD28969711
IUPAC Name:
5-bromo-7-methoxy-1-methylbenzotriazole
InChI:
InChI=1S/C8H8BrN3O/c1-12-8-6(10-11-12)3-5(9)4-7(8)13-2/h3-4H,1-2H3
InChI Key:
KDCYQZGOXATLDS-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc2c1n(C)nn2
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.076g/mol
Monoisotopic Mass:
240.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties