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165896-79-7 | Phosphonic acid, P-(2-bromo-2-nitroethenyl)-, bis(2-chloroethyl) ester
CAS No: 165896-79-7 Catalog No: AG001WEE MDL No:
Product Description
Catalog Number:
AG001WEE
Chemical Name:
Phosphonic acid, P-(2-bromo-2-nitroethenyl)-, bis(2-chloroethyl) ester
CAS Number:
165896-79-7
Molecular Formula:
C6H9BrCl2NO5P
Molecular Weight:
356.9231
IUPAC Name:
2-[bis(2-chloroethoxy)phosphoryl]-1-bromo-1-nitroethene
InChI:
InChI=1S/C6H9BrCl2NO5P/c7-6(10(11)12)5-16(13,14-3-1-8)15-4-2-9/h5H,1-4H2
InChI Key:
APNOLERCCQWGGJ-UHFFFAOYSA-N
SMILES:
ClCCOP(=O)(C=C([N+](=O)[O-])Br)OCCCl
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.878g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.918g/mol
Monoisotopic Mass:
354.878g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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