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13273-53-5 | 4-Bromo-1-methyl-1H-1,2,3-triazole
CAS No: 13273-53-5 Catalog No: AG00112I MDL No:MFCD10696344
Product Description
Catalog Number:
AG00112I
Chemical Name:
4-Bromo-1-methyl-1H-1,2,3-triazole
CAS Number:
13273-53-5
Molecular Formula:
C3H4BrN3
Molecular Weight:
161.9880
MDL Number:
MFCD10696344
IUPAC Name:
4-bromo-1-methyltriazole
InChI:
InChI=1S/C3H4BrN3/c1-7-2-3(4)5-6-7/h2H,1H3
InChI Key:
RQZZFHDFPSNDKV-UHFFFAOYSA-N
SMILES:
Cn1nnc(c1)Br
Properties
Complexity:
67.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.959g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.99g/mol
Monoisotopic Mass:
160.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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