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137361-32-1 | Ethanol, 1-chloro-, 1,1',1''-phosphate
CAS No: 137361-32-1 Catalog No: AG00136R MDL No:
Product Description
Catalog Number:
AG00136R
Chemical Name:
Ethanol, 1-chloro-, 1,1',1''-phosphate
CAS Number:
137361-32-1
Molecular Formula:
C6H18Cl3O7P
Molecular Weight:
339.5357
IUPAC Name:
1-chloroethanol;phosphoric acid
InChI:
InChI=1S/3C2H5ClO.H3O4P/c3*1-2(3)4;1-5(2,3)4/h3*2,4H,1H3;(H3,1,2,3,4)
InChI Key:
TUDKOZLLROHSSQ-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CC(Cl)O.CC(Cl)O.CC(Cl)O
Properties
Complexity:
65.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
339.527g/mol
Monoisotopic Mass:
337.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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