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133052-59-2 | 1H-Benzimidazole, 2-butyl-5,6-dichloro-
CAS No: 133052-59-2 Catalog No: AG0011LE MDL No:MFCD08064759
Product Description
Catalog Number:
AG0011LE
Chemical Name:
1H-Benzimidazole, 2-butyl-5,6-dichloro-
CAS Number:
133052-59-2
Molecular Formula:
C11H12Cl2N2
Molecular Weight:
243.1324
MDL Number:
MFCD08064759
IUPAC Name:
2-butyl-5,6-dichloro-1H-benzimidazole
InChI:
InChI=1S/C11H12Cl2N2/c1-2-3-4-11-14-9-5-7(12)8(13)6-10(9)15-11/h5-6H,2-4H2,1H3,(H,14,15)
InChI Key:
NGCHZYDKACGPOL-UHFFFAOYSA-N
SMILES:
CCCCc1[nH]c2c(n1)cc(c(c2)Cl)Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.131g/mol
Monoisotopic Mass:
242.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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