Formula |
C12H14ClN3O4 |
IUPAC Name |
2-[(1s)-1-chloro-2-ethoxy-2-oxo-ethyl]-5-guanidino-benzoic acid |
Molecular Mass |
299.710 g·mol−1 |
Heat of Formation |
-621.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.21 ± 1.08 D |
Volume |
326.71 Å 3 |
Surface Area |
305.84 Å 2 |
HOMO Energy |
-9.13 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[(1s)-1-chloro-2-ethoxy-2-keto-ethyl]-5-guanidino-benzoic acid
- 2-[(1s)-1-chloro-2-ethoxy-2-oxo-ethyl]-5-(diaminomethylideneamino)benzoic acid
- 2-[(1s)-1-chloro-2-ethoxy-2-oxo-ethyl]-5-guanidino-benzoic acid
- 2-[(1s)-1-chloro-2-ethoxy-2-oxoethyl]-5-(diaminomethylideneamino)benzoic acid
- 2-[(1s)-1-chloro-2-ethoxy-2-oxoethyl]-5-guanidinobenzoic acid
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InChIKey |
HIYFNBISGUASFH-VIFPVBQESA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
Cl
O
N
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