Home Aminos 4-(dimethylamino)-3-fluorobenzoic acid

4-(dimethylamino)-3-fluorobenzoic acid

CAS No.:
160658-70-8
Catalog Number:
AG01A7G1
Molecular Formula:
C9H10FNO2
Molecular Weight:
183.1796
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Product Description
Catalog Number:
AG01A7G1
Chemical Name:
4-(dimethylamino)-3-fluorobenzoic acid
CAS Number:
160658-70-8
Molecular Formula:
C9H10FNO2
Molecular Weight:
183.1796
MDL Number:
MFCD11156555
IUPAC Name:
4-(dimethylamino)-3-fluorobenzoic acid
InChI:
InChI=1S/C9H10FNO2/c1-11(2)8-4-3-6(9(12)13)5-7(8)10/h3-5H,1-2H3,(H,12,13)
InChI Key:
ALMADAASYUEHSC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)N(C)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.182g/mol
Monoisotopic Mass:
183.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties