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1464788-84-8 | Imidodicarbonic acid, 2-(4-chloro-2-pyrimidinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 1464788-84-8 Catalog No: AG001E20 MDL No:MFCD27501030
Product Description
Catalog Number:
AG001E20
Chemical Name:
Imidodicarbonic acid, 2-(4-chloro-2-pyrimidinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
1464788-84-8
Molecular Formula:
C14H20ClN3O4
Molecular Weight:
329.7793
MDL Number:
MFCD27501030
IUPAC Name:
tert-butyl N-(4-chloropyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C14H20ClN3O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10-16-8-7-9(15)17-10/h7-8H,1-6H3
InChI Key:
LTWPYVSBBSMSNR-UHFFFAOYSA-N
SMILES:
O=C(N(c1nccc(n1)Cl)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.781g/mol
Monoisotopic Mass:
329.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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