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Home Halogens tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate

tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate

CAS No.:
1053656-57-7
Catalog Number:
AG0038ZQ
Molecular Formula:
C12H16ClN3O2
Molecular Weight:
269.7273
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95+%
1 week
United States
$162
- +
250mg
95+%
1 week
United States
$210
- +
1g
97%
1 week
United States
$494
- +
5g
97%
1 week
United States
$1452
- +
10g
97%
1 week
United States
$2435
- +
25g
97%
1 week
United States
$4832
- +
Product Description
Catalog Number:
AG0038ZQ
Chemical Name:
tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate
CAS Number:
1053656-57-7
Molecular Formula:
C12H16ClN3O2
Molecular Weight:
269.7273
MDL Number:
MFCD11109465
IUPAC Name:
tert-butyl 4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-5-4-8-9(6-16)14-7-15-10(8)13/h7H,4-6H2,1-3H3
InChI Key:
XYHXUYOSXZHUSZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)ncnc2Cl)OC(C)(C)C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.093g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.729g/mol
Monoisotopic Mass:
269.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties