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1381948-19-1

1381948-19-1 | 3-Pyrrolidinecarboxylic acid, 4-(2-chlorophenyl)-1-(phenylmethyl)-, (3R,4S)-rel-

CAS No: 1381948-19-1 Catalog No: AG00187V MDL No:

Product Description

Catalog Number:
AG00187V
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(2-chlorophenyl)-1-(phenylmethyl)-, (3R,4S)-rel-
CAS Number:
1381948-19-1
Molecular Formula:
C18H18ClNO2
Molecular Weight:
315.7940
IUPAC Name:
(3R,4S)-1-benzyl-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C18H18ClNO2/c19-17-9-5-4-8-14(17)15-11-20(12-16(15)18(21)22)10-13-6-2-1-3-7-13/h1-9,15-16H,10-12H2,(H,21,22)/t15-,16+/m1/s1
InChI Key:
IDICLIGALZTBJB-CVEARBPZSA-N
SMILES:
OC(=O)[C@H]1CN(C[C@@H]1c1ccccc1Cl)Cc1ccccc1

Properties

Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
315.103g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.797g/mol
Monoisotopic Mass:
315.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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