Home Halogens 2-amino-1-(4-chlorophenyl)propane-1,3-diol hydrochloride

2-amino-1-(4-chlorophenyl)propane-1,3-diol hydrochloride

CAS No.:
2044714-54-5
Catalog Number:
AG01BV8X
Molecular Formula:
C9H13Cl2NO2
Molecular Weight:
238.1110
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Product Description
Catalog Number:
AG01BV8X
Chemical Name:
2-amino-1-(4-chlorophenyl)propane-1,3-diol hydrochloride
CAS Number:
2044714-54-5
Molecular Formula:
C9H13Cl2NO2
Molecular Weight:
238.1110
MDL Number:
MFCD30476305
IUPAC Name:
2-amino-1-(4-chlorophenyl)propane-1,3-diol;hydrochloride
InChI:
InChI=1S/C9H12ClNO2.ClH/c10-7-3-1-6(2-4-7)9(13)8(11)5-12;/h1-4,8-9,12-13H,5,11H2;1H
InChI Key:
FYUVPJRAXNFRLC-UHFFFAOYSA-N
SMILES:
OCC(C(c1ccc(cc1)Cl)O)N.Cl
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
238.108g/mol
Monoisotopic Mass:
237.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties