Home Halogens Boc-(+/-)-trans-4-(4-bromo-phenyl)-pyrrolidine-3-carboxylic acid

Boc-(+/-)-trans-4-(4-bromo-phenyl)-pyrrolidine-3-carboxylic acid

CAS No.:
1217829-96-3
Catalog Number:
AG0015ZP
Molecular Formula:
C16H20BrNO4
Molecular Weight:
370.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98% (HPLC)
1 week
United States
$126
- +
250mg
≥ 98% (HPLC)
1 week
United States
$192
- +
1g
≥ 98% (HPLC)
1 week
United States
$608
- +
5g
≥ 98% (HPLC)
1 week
United States
$2363
- +
Product Description
Catalog Number:
AG0015ZP
Chemical Name:
Boc-(+/-)-trans-4-(4-bromo-phenyl)-pyrrolidine-3-carboxylic acid
CAS Number:
1217829-96-3
Molecular Formula:
C16H20BrNO4
Molecular Weight:
370.2383
MDL Number:
MFCD07363505
IUPAC Name:
(3R,4S)-4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C16H20BrNO4/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+/m1/s1
InChI Key:
MXJJJGPIDKFWKX-OLZOCXBDSA-N
SMILES:
OC(=O)[C@H]1CN(C[C@@H]1c1ccc(cc1)Br)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:
369.058g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
370.243g/mol
Monoisotopic Mass:
369.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties