Formula |
C21H22ClNO3 |
IUPAC Name |
4-chloro-2-[[(e)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid |
Molecular Mass |
371.857 g·mol−1 |
Heat of Formation |
-471.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.54 ± 1.08 D |
Volume |
446.26 Å 3 |
Surface Area |
413.12 Å 2 |
HOMO Energy |
-9.28 ± 0.55 eV |
LUMO Energy |
-1.13 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(4-amylcinnamoyl)amino-4-chlorobenzoic acid
- 2-[[(e)-3-(4-amylphenyl)acryloyl]amino]-4-chloro-benzoic acid
- 4-chloro-2-[[(e)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid
- 4-chloro-2-[[(e)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
- benzoic acid, 4-chloro-2-((1-oxo-3-(4-pentylphenyl)-2-propenyl)amino)-, (e)-
- ono-rs 082
- ono-rs-082
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CAS Number(s) |
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InChIKey |
MDVFITMPFHDRBZ-JLHYYAGUSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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