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1281987-68-5 | 1H-Benzimidazole-1-carboxylic acid, 2-[3-(bromomethyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1281987-68-5 Catalog No: AG000XU4 MDL No:
Product Description
Catalog Number:
AG000XU4
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 2-[3-(bromomethyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1281987-68-5
Molecular Formula:
C19H19BrN2O2
Molecular Weight:
387.2704
IUPAC Name:
tert-butyl 2-[3-(bromomethyl)phenyl]benzimidazole-1-carboxylate
InChI:
InChI=1S/C19H19BrN2O2/c1-19(2,3)24-18(23)22-16-10-5-4-9-15(16)21-17(22)14-8-6-7-13(11-14)12-20/h4-11H,12H2,1-3H3
InChI Key:
SPBVJDYZRGHTCK-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)c1nc2c(n1C(=O)OC(C)(C)C)cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.063g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.277g/mol
Monoisotopic Mass:
386.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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