sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

CAS No.:
215184-78-4
Catalog Number:
AG003MI3
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$116
- +
10g
97%
In Stock USA
United States
$217
- +
25g
97%
In Stock USA
United States
$433
- +
100g
97%
In Stock USA
United States
$1350
- +
Product Description
Catalog Number:
AG003MI3
Chemical Name:
tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS Number:
215184-78-4
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
MDL Number:
MFCD08752227
IUPAC Name:
tert-butyl 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9H2,1-3H3
InChI Key:
YSAAGRAKROVFRY-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2Br)OC(C)(C)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.052g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.207g/mol
Monoisotopic Mass:
311.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties