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84157-77-7 | 1H-Imidazole, 4-(3-chloropropyl)-
CAS No: 84157-77-7 Catalog No: AG004ZII MDL No:
Product Description
Catalog Number:
AG004ZII
Chemical Name:
1H-Imidazole, 4-(3-chloropropyl)-
CAS Number:
84157-77-7
Molecular Formula:
C6H9ClN2
Molecular Weight:
144.6021
IUPAC Name:
5-(3-chloropropyl)-1H-imidazole
InChI:
InChI=1S/C6H9ClN2/c7-3-1-2-6-4-8-5-9-6/h4-5H,1-3H2,(H,8,9)
InChI Key:
ZBLBZGRRACOZRJ-UHFFFAOYSA-N
SMILES:
ClCCCc1c[nH]cn1
Properties
Complexity:
77.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.602g/mol
Monoisotopic Mass:
144.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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