Home Aminos 3-[(dimethylamino)methyl]-4-fluorobenzoic acid

3-[(dimethylamino)methyl]-4-fluorobenzoic acid

CAS No.:
1344076-62-5
Catalog Number:
AG01B1Y9
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
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Product Description
Catalog Number:
AG01B1Y9
Chemical Name:
3-[(dimethylamino)methyl]-4-fluorobenzoic acid
CAS Number:
1344076-62-5
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
MDL Number:
MFCD17286646
IUPAC Name:
3-[(dimethylamino)methyl]-4-fluorobenzoic acid
InChI:
InChI=1S/C10H12FNO2/c1-12(2)6-8-5-7(10(13)14)3-4-9(8)11/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:
KHVPFKGFPVPONL-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(ccc1F)C(=O)O)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.209g/mol
Monoisotopic Mass:
197.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties