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27578-77-4 | Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-di-2,5-xylyl- (8CI)
CAS No: 27578-77-4 Catalog No: AG002U4B MDL No:
Product Description
Catalog Number:
AG002U4B
Chemical Name:
Phosphoric triamide, N,N-bis(2-chloroethyl)-N',N''-di-2,5-xylyl- (8CI)
CAS Number:
27578-77-4
Molecular Formula:
C20H28Cl2N3OP
Molecular Weight:
428.3356
IUPAC Name:
N-[bis(2-chloroethyl)amino-(2,5-dimethylanilino)phosphoryl]-2,5-dimethylaniline
InChI:
InChI=1S/C20H28Cl2N3OP/c1-15-5-7-17(3)19(13-15)23-27(26,25(11-9-21)12-10-22)24-20-14-16(2)6-8-18(20)4/h5-8,13-14H,9-12H2,1-4H3,(H2,23,24,26)
InChI Key:
ONLCNUVSQIKLQR-UHFFFAOYSA-N
SMILES:
ClCCN(P(=O)(Nc1cc(C)ccc1C)Nc1cc(C)ccc1C)CCCl
NSC Number:
99020
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.135g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
428.338g/mol
Monoisotopic Mass:
427.135g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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