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1314936-23-6 | Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
CAS No: 1314936-23-6 Catalog No: AG000WBH MDL No:MFCD18642899
Product Description
Catalog Number:
AG000WBH
Chemical Name:
Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
CAS Number:
1314936-23-6
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
MDL Number:
MFCD18642899
IUPAC Name:
methyl 3-fluoro-4-formamidobenzoate
InChI:
InChI=1S/C9H8FNO3/c1-14-9(13)6-2-3-8(11-5-12)7(10)4-6/h2-5H,1H3,(H,11,12)
InChI Key:
HECHHBNGQFHWHW-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1F)C(=O)OC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.165g/mol
Monoisotopic Mass:
197.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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