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123451-28-5 | 1H-Imidazole-5-carbonyl chloride, 1-propyl-
CAS No: 123451-28-5 Catalog No: AG000KL4 MDL No:
Product Description
Catalog Number:
AG000KL4
Chemical Name:
1H-Imidazole-5-carbonyl chloride, 1-propyl-
CAS Number:
123451-28-5
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
IUPAC Name:
3-propylimidazole-4-carbonyl chloride
InChI:
InChI=1S/C7H9ClN2O/c1-2-3-10-5-9-4-6(10)7(8)11/h4-5H,2-3H2,1H3
InChI Key:
GCHQXNHOFLAUMD-UHFFFAOYSA-N
SMILES:
CCCn1cncc1C(=O)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.612g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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