200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1393561-99-3
1393561-99-3 | Benzoic acid, 3-fluoro-5-formyl-, methyl ester
CAS No: 1393561-99-3 Catalog No: AG001AUD MDL No:MFCD22544332
Product Description
Catalog Number:
AG001AUD
Chemical Name:
Benzoic acid, 3-fluoro-5-formyl-, methyl ester
CAS Number:
1393561-99-3
Molecular Formula:
C9H7FO3
Molecular Weight:
182.1485
MDL Number:
MFCD22544332
IUPAC Name:
methyl 3-fluoro-5-formylbenzoate
InChI:
InChI=1S/C9H7FO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-5H,1H3
InChI Key:
VLFQXVIURJDHTO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C=O)cc(c1)F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.15g/mol
Monoisotopic Mass:
182.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.