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1195768-18-3 | Benzoic acid, 3-amino-2-fluoro-, methyl ester
CAS No: 1195768-18-3 Catalog No: AG000IYP MDL No:MFCD12923265
Product Description
Catalog Number:
AG000IYP
Chemical Name:
Benzoic acid, 3-amino-2-fluoro-, methyl ester
CAS Number:
1195768-18-3
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD12923265
IUPAC Name:
methyl 3-amino-2-fluorobenzoate
InChI:
InChI=1S/C8H8FNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
InChI Key:
UOYDNSRSUSNCKS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1F)N
EC Number:
629-868-4
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.155g/mol
Monoisotopic Mass:
169.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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