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132873-84-8 | 1H-Benzimidazole-1-carboxylic acid, 4-(bromomethyl)-5-methoxy-, 1,1-dimethylethyl ester
CAS No: 132873-84-8 Catalog No: AG0011B3 MDL No:
Product Description
Catalog Number:
AG0011B3
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 4-(bromomethyl)-5-methoxy-, 1,1-dimethylethyl ester
CAS Number:
132873-84-8
Molecular Formula:
C14H17BrN2O3
Molecular Weight:
341.2004
IUPAC Name:
tert-butyl 4-(bromomethyl)-5-methoxybenzimidazole-1-carboxylate
InChI:
InChI=1S/C14H17BrN2O3/c1-14(2,3)20-13(18)17-8-16-12-9(7-15)11(19-4)6-5-10(12)17/h5-6,8H,7H2,1-4H3
InChI Key:
NPENEOVOPSEJHK-UHFFFAOYSA-N
SMILES:
BrCc1c(OC)ccc2c1ncn2C(=O)OC(C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.205g/mol
Monoisotopic Mass:
340.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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