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70132-77-3 molecular structure
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(2-chloro-5-nitrophenyl)(3,4-dimethylphenyl)methanone

ChemBase ID: 311722
Molecular Formular: C15H12ClNO3
Molecular Mass: 289.71368
Monoisotopic Mass: 289.05057093
SMILES and InChIs

SMILES:
[N+](=O)(c1cc(C(=O)c2cc(c(cc2)C)C)c(cc1)Cl)[O-]
Canonical SMILES:
Clc1ccc(cc1C(=O)c1ccc(c(c1)C)C)[N+](=O)[O-]
InChI:
InChI=1S/C15H12ClNO3/c1-9-3-4-11(7-10(9)2)15(18)13-8-12(17(19)20)5-6-14(13)16/h3-8H,1-2H3
InChIKey:
HLJXEMOQJQKXRT-UHFFFAOYSA-N

Cite this record

CBID:311722 http://www.chembase.cn/molecule-311722.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chloro-5-nitrophenyl)(3,4-dimethylphenyl)methanone
IUPAC Traditional name
(2-chloro-5-nitrophenyl)(3,4-dimethylphenyl)methanone
Synonyms
(2-chloro-5-nitrophenyl)(3,4-dimethylphenyl)methanone
CAS Number
70132-77-3
MDL Number
MFCD03140501

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.0034704  LogD (pH = 7.4) 5.0034704 
Log P 5.0034704  Molar Refractivity 77.8412 cm3
Polarizability 29.267488 Å3 Polar Surface Area 60.21 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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