CAS
939757-57-0 Purity
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939757-57-0 Purity
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Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CAS
939757-91-2
Catalog Number
ACM939757912
Category
Other Products
Molecular Weight
325.787300 [g/mol]
Molecular Formula
C16H20ClNO4
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Specification
Synonyms
939757-91-2, 4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, AGN-PC-00VA7F, SureCN13858719, Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid, AKOS015841224, A844757, Boc-(?-trans-4-(3-chloro-phenyl)-pyrrolidine-3-carboxylic acid, 4-(3-Chloro-phenyl)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester, 4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid
IUPAC Name
4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Canonical SMILES
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC(=CC=C2)Cl
InChI Key
JWDQWZPPUIYEEZ-UHFFFAOYSA-N
Boiling Point
464.4ºC at 760 mmHg
Flash Point
234.7ºC
Density
1.275g/cm³
Exact Mass
325.10800
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula is C16H20ClNO4.
When was Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid created?
It was created on July 19, 2005.
What is the IUPAC name of Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name is (3S,4R)-4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
What is the InChIKey of Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JWDQWZPPUIYEEZ-QWHCGFSZSA-N.
What is the molecular weight of Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight is 325.79 g/mol.
How many hydrogen bond donor counts are there in Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?
The topological polar surface area is 66.8 Ų.
Is Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid a canonicalized compound?
Yes, it is a canonicalized compound.
How many defined atom stereocenter counts are there in Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?
There are 2 defined atom stereocenter counts.
How many rotatable bond counts are there in Trans-1-Boc-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid?
There are 4 rotatable bond counts.
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![1-[(tert-Butyl)oxycarbonyl]-4-(2-chlorophenyl)pyrroline-3-carboxylic acid](https://resource.alfa-chemistry.com/structure/939757-93-4.gif)
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