Home Halogens Trans-1-(tert-butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

Trans-1-(tert-butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

CAS No.:
791625-60-0
Catalog Number:
AG005AV8
Molecular Formula:
C16H18ClNO4
Molecular Weight:
323.7714
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
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Product Description
Catalog Number:
AG005AV8
Chemical Name:
Trans-1-(tert-butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CAS Number:
791625-60-0
Molecular Formula:
C16H18ClNO4
Molecular Weight:
323.7714
MDL Number:
MFCD05662438
IUPAC Name:
(3S,4R)-4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C16H20ClNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-4-6-11(17)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
InChI Key:
NSBYJYHHDUOADW-QWHCGFSZSA-N
SMILES:
OC(=O)C1=CN(CC1c1ccc(cc1)Cl)C(=O)OC(C)(C)C
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
325.108g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.789g/mol
Monoisotopic Mass:
325.108g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties