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1273577-63-1 | 1H-Benzimidazole-1-carboxylic acid, 4-formyl-, 1,1-dimethylethyl ester
CAS No: 1273577-63-1 Catalog No: AG000WY9 MDL No:MFCD15071433
Product Description
Catalog Number:
AG000WY9
Chemical Name:
1H-Benzimidazole-1-carboxylic acid, 4-formyl-, 1,1-dimethylethyl ester
CAS Number:
1273577-63-1
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD15071433
IUPAC Name:
tert-butyl 4-formylbenzimidazole-1-carboxylate
InChI:
InChI=1S/C13H14N2O3/c1-13(2,3)18-12(17)15-8-14-11-9(7-16)5-4-6-10(11)15/h4-8H,1-3H3
InChI Key:
CSKHSTUQCFQKPL-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1ncn2C(=O)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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