CAS
939758-13-1 Purity
96%
939758-13-1 Purity
96%
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Trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate
CAS
939758-19-7
Catalog Number
ACM939758197
Category
Other Products
Molecular Weight
223.243463 [g/mol]
Molecular Formula
C12H14FNO2
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Specification
Synonyms
methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate, 939758-19-7, Trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate, AGN-PC-00VA7Q, AKOS015851540, A844765, 4-(3-fluorophenyl)-3-pyrrolidinecarboxylic acid methyl ester, 4-(3-Fluoro-phenyl)-pyrrolidine-3-carboxylic acid methyl ester 1HCl salt
IUPAC Name
methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate
InChI Key
DHNONVNQXOJHJT-UHFFFAOYSA-N
Boiling Point
303.5ºC at 760 mmHg
Flash Point
137.3ºC
Density
1.17g/cm³
Exact Mass
223.10100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate?
The molecular formula is C12H14FNO2.
When was trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate created and modified?
It was created on 2010-03-23 and modified on 2023-12-30.
What is the IUPAC name of trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate?
The IUPAC name is methyl (3R,4S)-4-(3-fluorophenyl)pyrrolidine-3-carboxylate.
What is the InChIKey of trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate?
The InChIKey is DHNONVNQXOJHJT-MNOVXSKESA-N.
How many hydrogen bond donor count does trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate?
The topological polar surface area is 38.3 Å2.
How many defined atom stereocenter counts does trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate have?
It has 2 defined atom stereocenter counts.
What is the XLogP3-AA value of trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate?
The XLogP3-AA value is 1.3.
Does trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate have a formal charge?
No, it has a formal charge of 0.
How many covalently-bonded unit counts does trans-methyl 4-(3-fluorophenyl)pyrrolidine-3-carboxylate have?
It has 1 covalently-bonded unit count.
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