(4-nitrophenyl) N-(4-fluorosulfonyl-3-methylphenyl)carbamate

HCID 308441

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Basic information

CAS: 22074-78-8
Standard SMILES: Cc1cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1S(=O)(=O)F
InChIKey: WCNGQGCPQDVFPF-UHFFFAOYSA-N
Molecular formula: C14H11FN2O6S
Average molar mass: 354.31 g/mol
Monoisotopic mass: 354.03218541

Names & identifiers

Preferred name: (4-nitrophenyl) N-(4-fluorosulfonyl-3-methylphenyl)carbamate
IUPAC: (4-nitrophenyl) N-(4-fluorosulfonyl-3-methylphenyl)carbamate

Names & synonyms

22074-78-8(4-nitrophenyl) N-(4-fluorosulfonyl-3-methylphenyl)carbamateNSC210240DTXSID60308837NSC-2102404-Nitrophenyl [4-(fluorosulfonyl)-3-methylphenyl]carbamate

Database identifiers

CAS: 22074-78-8
PubChem CID: 308441
DTXSID: DTXSID60308837

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 127 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 565

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