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16757-57-6 | 7-Oxa-2,4,6-triaza-3-phosphaoctanoic acid, 3-[[[2-chloro-1-(chloromethyl)ethoxy]carbonyl]amino]-5-oxo-, ethyl ester, 3-oxide
CAS No: 16757-57-6 Catalog No: AG001XGY MDL No:
Product Description
Catalog Number:
AG001XGY
Chemical Name:
7-Oxa-2,4,6-triaza-3-phosphaoctanoic acid, 3-[[[2-chloro-1-(chloromethyl)ethoxy]carbonyl]amino]-5-oxo-, ethyl ester, 3-oxide
CAS Number:
16757-57-6
Molecular Formula:
C9H17Cl2N4O7P
Molecular Weight:
395.1336
IUPAC Name:
ethyl N-[(1,3-dichloropropan-2-yloxycarbonylamino)-(methoxycarbamoylamino)phosphoryl]carbamate
InChI:
InChI=1S/C9H17Cl2N4O7P/c1-3-21-8(17)14-23(19,13-7(16)12-20-2)15-9(18)22-6(4-10)5-11/h6H,3-5H2,1-2H3,(H4,12,13,14,15,16,17,18,19)
InChI Key:
DYCMMAKTNUUHMP-UHFFFAOYSA-N
SMILES:
CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)OC(CCl)CCl
NSC Number:
112132
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.021g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
395.13g/mol
Monoisotopic Mass:
394.021g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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