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704884-78-6

704884-78-6 | Phenol,2-[(dimethylamino)methyl]-4,5-difluoro-

CAS No: 704884-78-6 Catalog No: AG005IH1 MDL No:MFCD04972813

Product Description

Catalog Number:
AG005IH1
Chemical Name:
Phenol,2-[(dimethylamino)methyl]-4,5-difluoro-
CAS Number:
704884-78-6
Molecular Formula:
C9H11F2NO
Molecular Weight:
187.1865
MDL Number:
MFCD04972813
IUPAC Name:
2-[(dimethylamino)methyl]-4,5-difluorophenol
InChI:
InChI=1S/C9H11F2NO/c1-12(2)5-6-3-7(10)8(11)4-9(6)13/h3-4,13H,5H2,1-2H3
InChI Key:
VVNLJNPGCNVLMC-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(F)c(cc1O)F)C

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.081g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.19g/mol
Monoisotopic Mass:
187.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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