AI15434
1236033-21-8 | t-Butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI15434
ChemicalName
t-Butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CasNumber
1236033-21-8
MolecularFormula
C11H12ClN3O2
MolecularWeight
253.68487999999996
MdlNumber
MFCD18427890
Smiles
O=C(n1ccc2c1ncnc2Cl)OC(C)(C)C
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AI15434
ChemicalName: t-Butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CasNumber: 1236033-21-8
MolecularFormula: C11H12ClN3O2
MolecularWeight: 253.68487999999996
MdlNumber: MFCD18427890
Smiles: O=C(n1ccc2c1ncnc2Cl)OC(C)(C)C
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI15434
ChemicalName:
t-Butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CasNumber:
1236033-21-8
MolecularFormula:
C11H12ClN3O2
MolecularWeight:
253.68487999999996
MdlNumber:
MFCD18427890
Smiles:
O=C(n1ccc2c1ncnc2Cl)OC(C)(C)C
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc2c(c1)cc([nH]2)C(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OB(c1ccc2c(c1)cc([nH]2)C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AI15444
ChemicalName: Methyl 6-methyl-1,3-benzothiazole-2-carboxylate
CasNumber: 1236115-18-6
MolecularFormula: C10H9NO2S
MolecularWeight: 207.249
MdlNumber: MFCD22373213
Smiles: COC(=O)c1nc2c(s1)cc(cc2)C
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AI15444
ChemicalName:
Methyl 6-methyl-1,3-benzothiazole-2-carboxylate
CasNumber:
1236115-18-6
MolecularFormula:
C10H9NO2S
MolecularWeight:
207.249
MdlNumber:
MFCD22373213
Smiles:
COC(=O)c1nc2c(s1)cc(cc2)C
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O3)NS(=O)(=O)C(F)(F)F)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O3)NS(=O)(=O)C(F)(F)F)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__