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19768-76-4 | Phosphonic acid, [3-[bis(2-chloroethyl)amino]-4-methylphenyl]- (9CI)
CAS No: 19768-76-4 Catalog No: AG002AYF MDL No:
Product Description
Catalog Number:
AG002AYF
Chemical Name:
Phosphonic acid, [3-[bis(2-chloroethyl)amino]-4-methylphenyl]- (9CI)
CAS Number:
19768-76-4
Molecular Formula:
C11H16Cl2NO3P
Molecular Weight:
312.1294
IUPAC Name:
[3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid
InChI:
InChI=1S/C11H16Cl2NO3P/c1-9-2-3-10(18(15,16)17)8-11(9)14(6-4-12)7-5-13/h2-3,8H,4-7H2,1H3,(H2,15,16,17)
InChI Key:
BIOHVRABGYPFNT-UHFFFAOYSA-N
SMILES:
ClCCN(c1cc(ccc1C)P(=O)(O)O)CCCl
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.127g/mol
Monoisotopic Mass:
311.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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