Chemical ID: 3966181

C1CNP(=O)(OC1)N(CCCl)CCCl
Chemical ID:
3966181
Name [?]:
N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine
SMILES [?]:
C1CNP(=O)(OC1)N(CCCl)CCCl
InChi [?]:
InChI=1/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,10,13,2,9,12,7,11,14,3,8,5,6,4/E:(2,3)(5,6)(8,9)/rA:14cCCNPOOCNCCClCCCl/rB:s1;s2;s3;d4;s4;s1s6;s4;s8;s9;s10;s8;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H15Cl2N2O2P
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.83487
Area:424.825
Solvation:-2.78575
Coulombic:-36.1312
Bond Count [?]
All:14
Single:13
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.085
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.84
LogP (Chemaxon):0.41

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