tert-butyl N-(tert-butoxycarbonyl)-N-(2-chloro-4-nitrophenyl)carbamate

tert-butyl N-(tert-butoxycarbonyl)-N-(2-chloro-4-nitrophenyl)carbamate

CAS: 252019-65-1

Formula: C16H21ClN2O6

SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=CC=C(C=C1Cl)[N+]([O-])=O

IUPAC: tert-butyl N-[(tert-butoxy)carbonyl]-N-(2-chloro-4-nitrophenyl)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

Composition: C (51.55%), H (5.68%), Cl (9.51%), N (7.51%), O (25.75%)

Molar Mass: 372.8

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	372.1088141
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	IDGPZGXYFQWSTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.69
Topological Polar Surface Area	98.98
Polarizability	35.31
Ring Count	1
Rotatable Bond Count	6

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