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18229-03-3

18229-03-3 | Phosphoramidic acid, bis(2-chloroethyl)-, monophenyl ester, compd. with cyclohexanamine (1:1) (9CI)

CAS No: 18229-03-3 Catalog No: AG0023KX MDL No:

Product Description

Catalog Number:
AG0023KX
Chemical Name:
Phosphoramidic acid, bis(2-chloroethyl)-, monophenyl ester, compd. with cyclohexanamine (1:1) (9CI)
CAS Number:
18229-03-3
Molecular Formula:
C16H27Cl2N2O3P
Molecular Weight:
397.2769
IUPAC Name:
N,N-bis(2-chloroethyl)-phenoxyphosphonamidic acid;cyclohexanamine
InChI:
InChI=1S/C10H14Cl2NO3P.C6H13N/c11-6-8-13(9-7-12)17(14,15)16-10-4-2-1-3-5-10;7-6-4-2-1-3-5-6/h1-5H,6-9H2,(H,14,15);6H,1-5,7H2
InChI Key:
NDDDXGUMKYTNBC-UHFFFAOYSA-N
SMILES:
NC1CCCCC1.ClCCN(P(=O)(Oc1ccccc1)O)CCCl
NSC Number:
72503

Properties

Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.114g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
397.277g/mol
Monoisotopic Mass:
396.114g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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