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122279-84-9 | 2-Propenoic acid, 3,3-dichloro-2-(phosphonomethyl)-
CAS No: 122279-84-9 Catalog No: AG00170Z MDL No:
Product Description
Catalog Number:
AG00170Z
Chemical Name:
2-Propenoic acid, 3,3-dichloro-2-(phosphonomethyl)-
CAS Number:
122279-84-9
Molecular Formula:
C4H5Cl2O5P
Molecular Weight:
234.9593
IUPAC Name:
3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid
InChI:
InChI=1S/C4H5Cl2O5P/c5-3(6)2(4(7)8)1-12(9,10)11/h1H2,(H,7,8)(H2,9,10,11)
InChI Key:
IBGSKYLUHGAGLB-UHFFFAOYSA-N
SMILES:
ClC(=C(C(=O)O)CP(=O)(O)O)Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.925g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.953g/mol
Monoisotopic Mass:
233.925g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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