Home Halogens 1-(3-chloropropyl)-5-methyl-1H-tetrazole

1-(3-chloropropyl)-5-methyl-1H-tetrazole

CAS No.:
870833-61-7
Catalog Number:
AG00GVL6
Molecular Formula:
C5H9ClN4
Molecular Weight:
160.6048
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Product Description
Catalog Number:
AG00GVL6
Chemical Name:
1-(3-chloropropyl)-5-methyl-1H-tetrazole
CAS Number:
870833-61-7
Molecular Formula:
C5H9ClN4
Molecular Weight:
160.6048
MDL Number:
MFCD12827506
IUPAC Name:
1-(3-chloropropyl)-5-methyltetrazole
InChI:
InChI=1S/C5H9ClN4/c1-5-7-8-9-10(5)4-2-3-6/h2-4H2,1H3
InChI Key:
QDLVWAITKXNFIR-UHFFFAOYSA-N
SMILES:
ClCCCn1nnnc1C
Properties
Complexity:
99.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.605g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties