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251937-22-1 | 1H-Benzimidazole-1-carboxylic acid, 5-chloro-2-(chloromethyl)-, 1,1-dimethylethyl ester
CAS No: 251937-22-1 Catalog No: AG002QTF MDL No:
Product Description
Catalog Number:
AG002QTF
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 5-chloro-2-(chloromethyl)-, 1,1-dimethylethyl ester
CAS Number:
251937-22-1
Molecular Formula:
C13H14Cl2N2O2
Molecular Weight:
301.1685
IUPAC Name:
tert-butyl 5-chloro-2-(chloromethyl)benzimidazole-1-carboxylate
InChI:
InChI=1S/C13H14Cl2N2O2/c1-13(2,3)19-12(18)17-10-5-4-8(15)6-9(10)16-11(17)7-14/h4-6H,7H2,1-3H3
InChI Key:
TVLNUPPWOKTBFM-UHFFFAOYSA-N
SMILES:
ClCc1nc2c(n1C(=O)OC(C)(C)C)ccc(c2)Cl
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.167g/mol
Monoisotopic Mass:
300.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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