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Home Halogens 1H-Tetrazole, 5-(2-chloroethyl)-

1H-Tetrazole, 5-(2-chloroethyl)-

CAS No.:
18755-46-9
Catalog Number:
AG00I1VF
Molecular Formula:
C3H5ClN4
Molecular Weight:
132.5516
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Product Description
Catalog Number:
AG00I1VF
Chemical Name:
1H-Tetrazole, 5-(2-chloroethyl)-
CAS Number:
18755-46-9
Molecular Formula:
C3H5ClN4
Molecular Weight:
132.5516
MDL Number:
MFCD00123349
IUPAC Name:
5-(2-chloroethyl)-2H-tetrazole
InChI:
InChI=1S/C3H5ClN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)
InChI Key:
YZQCWPFTAAUGPS-UHFFFAOYSA-N
SMILES:
ClCCc1n[nH]nn1
EC Number:
606-112-1
Properties
Complexity:
68.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.02g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.551g/mol
Monoisotopic Mass:
132.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
High-spin- and low-spin-state structures of [Fe(chloroethyltetrazole)6](ClO4)2 from synchrotron powder diffraction data. Chemistry (Weinheim an der Bergstrasse, Germany) 20060623
Low-spin state structure of [Fe(chloroethyltetrazole)6](BF4)2 obtained from synchrotron powder diffraction data. Chemistry (Weinheim an der Bergstrasse, Germany) 20051007
Properties