Basic information
- CAS
14193-08-9- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1)Oc1cccc([N+](=O)[O-])c1- InChIKey
DJDQQEKQNWIBDY-UHFFFAOYSA-N- Molecular formula
- C19H13BrN2O6S
- Average molar mass
- 477.3 g/mol
- Monoisotopic mass
- 475.96777
Names & identifiers
- Preferred name
- Carbanilic acid, p-((p-bromophenyl)sulfonyl)-, m-nitrophenyl ester
- IUPAC
- (3-nitrophenyl) N-[4-(4-bromophenyl)sulfonylphenyl]carbamate
Names & synonyms
BRN 3018103CARBANILIC ACID, p-((p-BROMOPHENYL)SULFONYL)-, m-NITROPHENYL ESTERm-Nitrophenyl p-((p-bromophenyl)sulfonyl)carbanilate14193-08-9p-((p-Bromophenyl)sulfonyl)carbanilic acid m-nitrophenyl esterDTXSID00161862RefChem:333144DTXCID00843533-Nitrophenyl [4-(4-bromobenzene-1-sulfonyl)phenyl]carbamate
Database identifiers
- CAS
14193-08-9- PubChem CID
- 26552
- DTXSID
DTXSID00161862
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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