AI63187
944709-69-7 | 4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI63187
ChemicalName
4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester
CasNumber
944709-69-7
MolecularFormula
C8H6ClN3O2
MolecularWeight
211.6051
MdlNumber
MFCD09702013
Smiles
COC(=O)c1cc2c([nH]1)ncnc2Cl
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AI63187
ChemicalName: 4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester
CasNumber: 944709-69-7
MolecularFormula: C8H6ClN3O2
MolecularWeight: 211.6051
MdlNumber: MFCD09702013
Smiles: COC(=O)c1cc2c([nH]1)ncnc2Cl
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI63187
ChemicalName:
4-Chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester
CasNumber:
944709-69-7
MolecularFormula:
C8H6ClN3O2
MolecularWeight:
211.6051
MdlNumber:
MFCD09702013
Smiles:
COC(=O)c1cc2c([nH]1)ncnc2Cl
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(I)ccnc1N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(I)ccnc1N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(sc1Br)C
Complexity: 163
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(sc1Br)C
Complexity:
163
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(P(C(C)(C)C)CCNCCP(C(C)(C)C)C(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(P(C(C)(C)C)CCNCCP(C(C)(C)C)C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__