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Home Halogens tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate

CAS No.:
258515-65-0
Catalog Number:
AG0037HO
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$54
- +
5g
95%
In Stock USA
United States
$161
- +
25g
98%
In Stock USA
United States
$657
- +
Product Description
Catalog Number:
AG0037HO
Chemical Name:
tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS Number:
258515-65-0
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
MDL Number:
MFCD08752229
IUPAC Name:
tert-butyl 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3
InChI Key:
PWPKRLMPHNRWHK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CN(CC2)C(=O)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