Formula |
C34H29F2N3O6P2 |
IUPAC Name |
[3-[4-[(2r)-2-(benzotriazol-1-yl)-3-[4-[difluoro(phosphono)methyl]phenyl]-2-phenyl-propyl]phenyl]phenyl]phosphonic acid |
Molecular Mass |
675.555 g·mol−1 |
Heat of Formation |
-1359.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.57 ± 1.08 D |
Volume |
737.17 Å 3 |
Surface Area |
574.05 Å 2 |
HOMO Energy |
-9.28 ± 0.55 eV |
LUMO Energy |
2.28 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid
- [[4-[(2r)-2-(1-benzotriazolyl)-2-phenyl-3-[4-(3-phosphonophenyl)phenyl]propyl]phenyl]-difluoromethyl]phosphonic acid
- [[4-[(2r)-2-(benzotriazol-1-yl)-2-phenyl-3-[4-(3-phosphonophenyl)phenyl]propyl]phenyl]-difluoro-methyl]phosphonic acid
- [[4-[(2r)-2-(benzotriazol-1-yl)-2-phenyl-3-[4-(3-phosphonophenyl)phenyl]propyl]phenyl]-difluoromethyl]phosphonic acid
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InChIKey |
DIRCLNUEXQQLRT-MGBGTMOVSA-N |
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Links |
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Elements |
C
F
H
O
N
P
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