Formula |
C14H23Cl2NO7P2 |
IUPAC Name |
[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-phosphono-butyl]phosphonic acid |
Molecular Mass |
450.188 g·mol−1 |
Heat of Formation |
-1801.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.65 ± 1.08 D |
Volume |
482.82 Å 3 |
Surface Area |
410.91 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
0.04 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutylidene)bis-phosphonic acid
- 4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid
- [4-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-phosphonobutyl]phosphonic acid
- phosphonic acid, (4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutylidene)bis-
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CAS Number(s) |
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InChIKey |
JHBMGZJQVAIXNT-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
P
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