Formula |
C12H19Cl2NO7P2 |
IUPAC Name |
[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-hydroxy-phosphono-methyl]phosphonic acid |
Molecular Mass |
422.135 g·mol−1 |
Heat of Formation |
-1795.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.15 ± 1.08 D |
Volume |
441.69 Å 3 |
Surface Area |
350.09 Å 2 |
HOMO Energy |
-8.84 ± 0.55 eV |
LUMO Energy |
-0.28 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hyd roxymethylene)bis-phosphonic acid
- ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid
- ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethylene)bisphosphonic acid
- 3-(bis(2-chloroethyl)amino)-4-methylphenyl-hydroxymethanbiphosphonic acid
- [[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-hydroxy-phosphonomethyl]phosphonic acid
- phosphonic acid, ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethylene)bis-
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CAS Number(s) |
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InChIKey |
SBZOGCANHKAYKV-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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