AE24320
1073440-84-2 | tert-Butyl 4-hydroxy-2-methyl-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE24320
ChemicalName
tert-Butyl 4-hydroxy-2-methyl-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CasNumber
1073440-84-2
MolecularFormula
C13H19N3O3
MolecularWeight
265.3083
MdlNumber
MFCD13189665
Smiles
O=C(N1CCc2c(C1)c(=O)nc([nH]2)C)OC(C)(C)C
Complexity
486
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AE24320
ChemicalName: tert-Butyl 4-hydroxy-2-methyl-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CasNumber: 1073440-84-2
MolecularFormula: C13H19N3O3
MolecularWeight: 265.3083
MdlNumber: MFCD13189665
Smiles: O=C(N1CCc2c(C1)c(=O)nc([nH]2)C)OC(C)(C)C
Complexity: 486
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AE24320
ChemicalName:
tert-Butyl 4-hydroxy-2-methyl-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CasNumber:
1073440-84-2
MolecularFormula:
C13H19N3O3
MolecularWeight:
265.3083
MdlNumber:
MFCD13189665
Smiles:
O=C(N1CCc2c(C1)c(=O)nc([nH]2)C)OC(C)(C)C
Complexity:
486
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1Nc2c(C1)cc(cc2)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Nc2c(C1)cc(cc2)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AE24322
ChemicalName: 2-Bromo-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one
CasNumber: 10513-26-5
MolecularFormula: C9H10BrNOS
MolecularWeight: 260.1508
MdlNumber: MFCD20527744
Smiles: O=C1CC(C)(C)Cc2c1sc(n2)Br
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AE24322
ChemicalName:
2-Bromo-5,5-dimethyl-5,6-dihydro-4h-benzothiazol-7-one
CasNumber:
10513-26-5
MolecularFormula:
C9H10BrNOS
MolecularWeight:
260.1508
MdlNumber:
MFCD20527744
Smiles:
O=C1CC(C)(C)Cc2c1sc(n2)Br
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AE24323
ChemicalName: methyl 4-chloro-2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CasNumber: 1070892-90-8
MolecularFormula: C15H20BClO5
MolecularWeight: 326.5803
MdlNumber: MFCD19441823
Smiles: COC(=O)c1cc(c(cc1OC)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 412
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
CatalogNumber:
AE24323
ChemicalName:
methyl 4-chloro-2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CasNumber:
1070892-90-8
MolecularFormula:
C15H20BClO5
MolecularWeight:
326.5803
MdlNumber:
MFCD19441823
Smiles:
COC(=O)c1cc(c(cc1OC)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
412
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4