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18283-40-4 | Benzenepropanoic acid, α-(aminocarbonyl)-α-fluoro-
CAS No: 18283-40-4 Catalog No: AG00246N MDL No:
Product Description
Catalog Number:
AG00246N
Chemical Name:
Benzenepropanoic acid, α-(aminocarbonyl)-α-fluoro-
CAS Number:
18283-40-4
Molecular Formula:
C10H10FNO3
Molecular Weight:
211.1897
IUPAC Name:
3-amino-2-benzyl-2-fluoro-3-oxopropanoic acid
InChI:
InChI=1S/C10H10FNO3/c11-10(8(12)13,9(14)15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,13)(H,14,15)
InChI Key:
UGIKGQYNVDVIMJ-UHFFFAOYSA-N
SMILES:
NC(=O)C(C(=O)O)(Cc1ccccc1)F
NSC Number:
87259
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.192g/mol
Monoisotopic Mass:
211.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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