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5-(2-chloroethyl)-1H-1,2,3,4-tetrazole

5-(2-chloroethyl)-1H-1,2,3,4-tetrazole

CAS: 18755-46-9

Formula: C3H5ClN4

SMILES: ClCCC1=NN=NN1

IUPAC: 5-(2-chloroethyl)-1H-1,2,3,4-tetrazole

InChI: InChI=1S/C3H5ClN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)

Composition: C (27.18%), H (3.80%), Cl (26.74%), N (42.27%)

Molar Mass: 132.55

Atom Count: 13

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 132.0202739
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YZQCWPFTAAUGPS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.21
Topological Polar Surface Area 54.46
Polarizability 10.99
Ring Count 1
Rotatable Bond Count 2

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96% <2 Days 18755-46-9 $109.25-$802.70$109.25$125.35$143.75$171.35$227.70$802.70
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