Phenyl (3-Chlorophenyl)carbamate - CAS 50699-50-8
Catalog: |
BB058083 |
Product Name: |
Phenyl (3-Chlorophenyl)carbamate |
CAS: |
50699-50-8 |
Synonyms: |
Phenyl N-(3-Chlorophenyl)carbamate; NSC 29155; Phenyl Ester 3-(Chlorophenyl)carbamic Acid |
IUPAC Name: | phenyl N-(3-chlorophenyl)carbamate |
Description: | Phenyl (3-Chlorophenyl)carbamate is an intermediate in the synthesis of 3-(3-Chlorophenyl)-1,1-dimethylurea (C609785), which has been to study, the quantitative structure-activity relations of substituted phenylureas on the Hill inhibitory activity; Simple and rapid screening method for photosystem II inhibitory herbicides using photoautotrophically cultured plant cells with chlorophyll fluorescence monitoring. |
Molecular Weight: | 247.68 |
Molecular Formula: | C13H10ClNO2 |
Canonical SMILES: | C1=CC=C(C=C1)OC(=O)NC2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C13H10ClNO2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h1-9H,(H,15,16) |
InChI Key: | ODRCCNDEGWDDGA-UHFFFAOYSA-N |
References: | Takemoto I., et al., Nippon Noyaku Gakkaishi, 9, 517-21 (1984); Yoneyama K., et al., Biosci. Biotechnol. Biochem., 57, 1389-90 (1993). |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
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Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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