AI45157
219841-91-5 | Methyl 5-cyano-2-iodobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI45157
ChemicalName
Methyl 5-cyano-2-iodobenzoate
CasNumber
219841-91-5
MolecularFormula
C9H6INO2
MolecularWeight
287.0539
MdlNumber
MFCD21362395
Smiles
COC(=O)c1cc(C#N)ccc1I
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AI45157
ChemicalName: Methyl 5-cyano-2-iodobenzoate
CasNumber: 219841-91-5
MolecularFormula: C9H6INO2
MolecularWeight: 287.0539
MdlNumber: MFCD21362395
Smiles: COC(=O)c1cc(C#N)ccc1I
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AI45157
ChemicalName:
Methyl 5-cyano-2-iodobenzoate
CasNumber:
219841-91-5
MolecularFormula:
C9H6INO2
MolecularWeight:
287.0539
MdlNumber:
MFCD21362395
Smiles:
COC(=O)c1cc(C#N)ccc1I
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(=O)O.N#Cc1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(=O)O.N#Cc1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI45159
ChemicalName: 2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber: 2199-51-1
MolecularFormula: C9H13NO2
MolecularWeight: 167.205
MdlNumber: MFCD01365811
Smiles: CCOC(=O)c1c(C)c[nH]c1C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AI45159
ChemicalName:
2,4-Dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester
CasNumber:
2199-51-1
MolecularFormula:
C9H13NO2
MolecularWeight:
167.205
MdlNumber:
MFCD01365811
Smiles:
CCOC(=O)c1c(C)c[nH]c1C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__