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15777-55-6 | 1H-1,2,4-Triazole, 5-bromo-3-chloro-
CAS No: 15777-55-6 Catalog No: AG001PPJ MDL No:MFCD19691754
Product Description
Catalog Number:
AG001PPJ
Chemical Name:
1H-1,2,4-Triazole, 5-bromo-3-chloro-
CAS Number:
15777-55-6
Molecular Formula:
C2HBrClN3
Molecular Weight:
182.4064
MDL Number:
MFCD19691754
IUPAC Name:
3-bromo-5-chloro-1H-1,2,4-triazole
InChI:
InChI=1S/C2HBrClN3/c3-1-5-2(4)7-6-1/h(H,5,6,7)
InChI Key:
LYBWHBAOGXXXKE-UHFFFAOYSA-N
SMILES:
Clc1n[nH]c(n1)Br
Properties
Complexity:
70
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.904g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.405g/mol
Monoisotopic Mass:
180.904g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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