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1326713-68-1 | Imidodicarbonic acid, 2-(2,3-dichlorofuro[2,3-c]pyridin-7-yl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 1326713-68-1 Catalog No: AG0010YU MDL No:
Product Description
Catalog Number:
AG0010YU
Chemical Name:
Imidodicarbonic acid, 2-(2,3-dichlorofuro[2,3-c]pyridin-7-yl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
1326713-68-1
Molecular Formula:
C17H20Cl2N2O5
Molecular Weight:
403.2571
IUPAC Name:
tert-butyl N-(2,3-dichlorofuro[2,3-c]pyridin-7-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C17H20Cl2N2O5/c1-16(2,3)25-14(22)21(15(23)26-17(4,5)6)13-11-9(7-8-20-13)10(18)12(19)24-11/h7-8H,1-6H3
InChI Key:
IAAXDCNVDGCJHZ-UHFFFAOYSA-N
SMILES:
O=C(N(c1nccc2c1oc(c2Cl)Cl)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.256g/mol
Monoisotopic Mass:
402.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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