Home Other Building Blocks 2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine hydrochloride

2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine hydrochloride

CAS No.:
1803604-95-6
Catalog Number:
AG01B1SA
Molecular Formula:
C9H11ClF3NO
Molecular Weight:
241.6379
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Product Description
Catalog Number:
AG01B1SA
Chemical Name:
2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine hydrochloride
CAS Number:
1803604-95-6
Molecular Formula:
C9H11ClF3NO
Molecular Weight:
241.6379
MDL Number:
MFCD27980973
IUPAC Name:
2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C9H10F3NO.ClH/c1-14-7-3-2-5(4-6(7)10)8(13)9(11)12;/h2-4,8-9H,13H2,1H3;1H
InChI Key:
FVLDYUCDPBXRNC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(C(F)F)N.Cl
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.638g/mol
Monoisotopic Mass:
241.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties