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252019-51-5 | Imidodicarbonic acid, 2-(4-amino-2-chlorophenyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 252019-51-5 Catalog No: AG002QW9 MDL No:
Product Description
Catalog Number:
AG002QW9
Chemical Name:
Imidodicarbonic acid, 2-(4-amino-2-chlorophenyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
252019-51-5
Molecular Formula:
C16H23ClN2O4
Molecular Weight:
342.8178
IUPAC Name:
tert-butyl N-(4-amino-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C16H23ClN2O4/c1-15(2,3)22-13(20)19(14(21)23-16(4,5)6)12-8-7-10(18)9-11(12)17/h7-9H,18H2,1-6H3
InChI Key:
HLRQMXNTGISGDT-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.82g/mol
Monoisotopic Mass:
342.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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