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Home Other Building Blocks Mabuterolhydrochloride

Mabuterolhydrochloride

CAS No.:
54240-36-7
Catalog Number:
AG00D92Z
Molecular Formula:
C13H19Cl2F3N2O
Molecular Weight:
347.2040
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Product Description
Catalog Number:
AG00D92Z
Chemical Name:
Mabuterolhydrochloride
CAS Number:
54240-36-7
Molecular Formula:
C13H19Cl2F3N2O
Molecular Weight:
347.2040
MDL Number:
MFCD00941398
IUPAC Name:
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
InChI:
InChI=1S/C13H18ClF3N2O.ClH/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7;/h4-5,10,19-20H,6,18H2,1-3H3;1H
InChI Key:
MMCDXJOMPMIKGP-UHFFFAOYSA-N
SMILES:
OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C.Cl
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.083g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
347.203g/mol
Monoisotopic Mass:
346.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties