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126602-20-8 | Ethanol, 2-chloro-, phosphate
CAS No: 126602-20-8 Catalog No: AG000T0E MDL No:MFCD19232035
Product Description
Catalog Number:
AG000T0E
Chemical Name:
Ethanol, 2-chloro-, phosphate
CAS Number:
126602-20-8
Molecular Formula:
C2H6ClO4P
Molecular Weight:
160.4934
MDL Number:
MFCD19232035
IUPAC Name:
2-chloroethanol;phosphoric acid
InChI:
InChI=1S/C2H5ClO.H3O4P/c3-1-2-4;1-5(2,3)4/h4H,1-2H2;(H3,1,2,3,4)
InChI Key:
NHQQBOFDYKNVMG-UHFFFAOYSA-N
SMILES:
ClCCOP(=O)(O)O
Properties
Complexity:
59.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.98g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
178.505g/mol
Monoisotopic Mass:
177.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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