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84501-67-7 | 1-(2-bromoethyl)-4-ethyl-tetrazol-5-one
CAS No: 84501-67-7 Catalog No: AG004RZY MDL No:
Product Description
Catalog Number:
AG004RZY
Chemical Name:
1-(2-bromoethyl)-4-ethyl-tetrazol-5-one
CAS Number:
84501-67-7
Molecular Formula:
C5H9BrN4O
Molecular Weight:
221.0552
IUPAC Name:
1-(2-bromoethyl)-4-ethyltetrazol-5-one
InChI:
InChI=1S/C5H9BrN4O/c1-2-9-5(11)10(4-3-6)8-7-9/h2-4H2,1H3
InChI Key:
KQKSCWCKLKLXJS-UHFFFAOYSA-N
SMILES:
BrCCn1nnn(c1=O)CC
EC Number:
282-986-4
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.058g/mol
Monoisotopic Mass:
219.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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