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1000684-06-9 | 1H-Imidazole-2-methanol, 4,5-dichloro-1-methyl-
CAS No: 1000684-06-9 Catalog No: AG0000SW MDL No:MFCD18904311
Product Description
Catalog Number:
AG0000SW
Chemical Name:
1H-Imidazole-2-methanol, 4,5-dichloro-1-methyl-
CAS Number:
1000684-06-9
Molecular Formula:
C5H6Cl2N2O
Molecular Weight:
181.0199
MDL Number:
MFCD18904311
IUPAC Name:
(4,5-dichloro-1-methylimidazol-2-yl)methanol
InChI:
InChI=1S/C5H6Cl2N2O/c1-9-3(2-10)8-4(6)5(9)7/h10H,2H2,1H3
InChI Key:
QQBPEJFPFQWBER-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1C)Cl)Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.016g/mol
Monoisotopic Mass:
179.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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