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252019-65-1 | Imidodicarbonic acid, 2-(2-chloro-4-nitrophenyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 252019-65-1 Catalog No: AG002QW8 MDL No:
Product Description
Catalog Number:
AG002QW8
Chemical Name:
Imidodicarbonic acid, 2-(2-chloro-4-nitrophenyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
252019-65-1
Molecular Formula:
C16H21ClN2O6
Molecular Weight:
372.8007
IUPAC Name:
tert-butyl N-(2-chloro-4-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C16H21ClN2O6/c1-15(2,3)24-13(20)18(14(21)25-16(4,5)6)12-8-7-10(19(22)23)9-11(12)17/h7-9H,1-6H3
InChI Key:
IDGPZGXYFQWSTJ-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccc(cc1Cl)[N+](=O)[O-])C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.802g/mol
Monoisotopic Mass:
372.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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