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1330830-35-7 | 3-Pyrrolidinecarboxylic acid, 4-(4-fluorophenyl)-, (3R,4S)-rel-
CAS No: 1330830-35-7 Catalog No: AG00147O MDL No:
Product Description
Catalog Number:
AG00147O
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(4-fluorophenyl)-, (3R,4S)-rel-
CAS Number:
1330830-35-7
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
IUPAC Name:
4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H12FNO2/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15/h1-4,9-10,13H,5-6H2,(H,14,15)
InChI Key:
YXKAESVIGMPPNB-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.22g/mol
Monoisotopic Mass:
209.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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