AA36401
1261956-26-6 | Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AA36401
ChemicalName
Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate
CasNumber
1261956-26-6
MolecularFormula
C10H9ClN2O6
MolecularWeight
288.6413
MdlNumber
MFCD18311907
Smiles
COC(=O)C(c1ncc(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity
356
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
5
Xlogp3
1.3
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CatalogNumber: AA36401
ChemicalName: Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate
CasNumber: 1261956-26-6
MolecularFormula: C10H9ClN2O6
MolecularWeight: 288.6413
MdlNumber: MFCD18311907
Smiles: COC(=O)C(c1ncc(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AA36401
ChemicalName:
Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate
CasNumber:
1261956-26-6
MolecularFormula:
C10H9ClN2O6
MolecularWeight:
288.6413
MdlNumber:
MFCD18311907
Smiles:
COC(=O)C(c1ncc(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1.3
CatalogNumber: AA36402
ChemicalName: 2-Chloro-4-(4-t-butylphenyl)benzoic acid
CasNumber: 1261955-02-5
MolecularFormula: C17H17ClO2
MolecularWeight: 288.76868
MdlNumber: MFCD18321120
Smiles: OC(=O)c1ccc(cc1Cl)c1ccc(cc1)C(C)(C)C
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 5.4
CatalogNumber:
AA36402
ChemicalName:
2-Chloro-4-(4-t-butylphenyl)benzoic acid
CasNumber:
1261955-02-5
MolecularFormula:
C17H17ClO2
MolecularWeight:
288.76868
MdlNumber:
MFCD18321120
Smiles:
OC(=O)c1ccc(cc1Cl)c1ccc(cc1)C(C)(C)C
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
5.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)F)c1ccc(cc1)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1ccc(c(c1)F)c1ccc(cc1)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36404
ChemicalName: 3-(3,5-Dichlorophenyl)-5-methoxybenzoic acid
CasNumber: 1261954-74-8
MolecularFormula: C14H10Cl2O3
MolecularWeight: 297.1334
MdlNumber: MFCD18321923
Smiles: COc1cc(cc(c1)C(=O)O)c1cc(Cl)cc(c1)Cl
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 4.3
CatalogNumber:
AA36404
ChemicalName:
3-(3,5-Dichlorophenyl)-5-methoxybenzoic acid
CasNumber:
1261954-74-8
MolecularFormula:
C14H10Cl2O3
MolecularWeight:
297.1334
MdlNumber:
MFCD18321923
Smiles:
COc1cc(cc(c1)C(=O)O)c1cc(Cl)cc(c1)Cl
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
4.3