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713-47-3 | Ethyl 3-amino-5-fluoro-4-methylbenzoate
CAS No: 713-47-3 Catalog No: AG005J2P MDL No:MFCD11519024
Product Description
Catalog Number:
AG005J2P
Chemical Name:
Ethyl 3-amino-5-fluoro-4-methylbenzoate
CAS Number:
713-47-3
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
MDL Number:
MFCD11519024
IUPAC Name:
ethyl 3-amino-5-fluoro-4-methylbenzoate
InChI:
InChI=1S/C10H12FNO2/c1-3-14-10(13)7-4-8(11)6(2)9(12)5-7/h4-5H,3,12H2,1-2H3
InChI Key:
SQVYXIRWFLXDKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(N)c(c(c1)F)C
Properties
Complexity:
210
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:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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