Home Halogens 2-Boc-6-chloro-3,4-dihydro-1h-isoquinoline-1-carboxylic acid

2-Boc-6-chloro-3,4-dihydro-1h-isoquinoline-1-carboxylic acid

CAS No.:
871730-33-5
Catalog Number:
AG004T9E
Molecular Formula:
C15H18ClNO4
Molecular Weight:
311.7607
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 96% (Assay)
1 week
United States
$170
- +
250mg
≥ 96% (Assay)
1 week
United States
$301
- +
1g
≥ 96% (Assay)
1 week
United States
$615
- +
Product Description
Catalog Number:
AG004T9E
Chemical Name:
2-Boc-6-chloro-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
CAS Number:
871730-33-5
Molecular Formula:
C15H18ClNO4
Molecular Weight:
311.7607
MDL Number:
MFCD04114850
IUPAC Name:
6-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
InChI:
InChI=1S/C15H18ClNO4/c1-15(2,3)21-14(20)17-7-6-9-8-10(16)4-5-11(9)12(17)13(18)19/h4-5,8,12H,6-7H2,1-3H3,(H,18,19)
InChI Key:
KPXNQGBQXZXALA-UHFFFAOYSA-N
SMILES:
OC(=O)C1N(CCc2c1ccc(c2)Cl)C(=O)OC(C)(C)C
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.092g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.762g/mol
Monoisotopic Mass:
311.092g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties