CAS
959574-25-5 Purity
96%
959574-25-5 Purity
96%
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trans-4-(2-Bromophenyl)-1-boc-pyrrolidine-3-carboxylic acid
CAS
959575-40-7
Catalog Number
ACM959575407
Category
Other Products
Molecular Weight
370.2383
Molecular Formula
C16H20BrNO4
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Specification
Synonyms
959575-40-7, SureCN3744409, Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid, FT-0659588, A845512, Boc-(trans-4-(2-bromo-phenyl)-pyrrolidine-3-carboxylic acid, 4-(2-bromophenyl)-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylic acid, 4-(2-bromophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid, 4-(2-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
IUPAC Name
4-(2-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI Key
CURUUULGBKMLMR-UHFFFAOYSA-N
Boiling Point
468.052ºC at 760 mmHg
Flash Point
236.87ºC
Density
1.426g/cm³
Exact Mass
369.05800
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of trans-4-(2-Bromophenyl)-1-boc-pyrrolidine-3-carboxylic acid?
The molecular formula is C16H20BrNO4.
When was the compound created and last modified?
The compound was created on July 19, 2005, and last modified on December 30, 2023.
What is the IUPAC name of this compound?
The IUPAC name is (3S,4R)-4-(2-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
What is the InChIKey for this compound?
The InChIKey is CURUUULGBKMLMR-NWDGAFQWSA-N.
How many hydrogen bond donor counts does this compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value for this compound?
The XLogP3-AA value is 2.9.
What is the exact mass of the compound?
The exact mass is 369.05757 g/mol.
How many hydrogen bond acceptor counts does this compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does this compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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