Home Halogens Boc-(s)-3-amino-4-(2-chloro-phenyl)-butyric acid

Boc-(s)-3-amino-4-(2-chloro-phenyl)-butyric acid

CAS No.:
218608-95-8
Catalog Number:
AG00I48P
Molecular Formula:
C15H20ClNO4
Molecular Weight:
313.7766
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 99%
1 week
United States
$111
- +
250mg
≥ 99%
1 week
United States
$170
- +
1g
≥ 99%
1 week
United States
$287
- +
Product Description
Catalog Number:
AG00I48P
Chemical Name:
Boc-(s)-3-amino-4-(2-chloro-phenyl)-butyric acid
CAS Number:
218608-95-8
Molecular Formula:
C15H20ClNO4
Molecular Weight:
313.7766
MDL Number:
MFCD01076275
IUPAC Name:
(3S)-4-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI Key:
UBRPCCFLMVZEKN-NSHDSACASA-N
SMILES:
OC(=O)C[C@H](Cc1ccccc1Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
313.108g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.778g/mol
Monoisotopic Mass:
313.108g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties