AE61918
1355247-89-0 | Methyl 4-(3-chloro-4-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE61918
ChemicalName
Methyl 4-(3-chloro-4-cyanophenyl)benzoate
CasNumber
1355247-89-0
MolecularFormula
C15H10ClNO2
MolecularWeight
271.6984
MdlNumber
MFCD21333026
Smiles
COC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AE61918
ChemicalName: Methyl 4-(3-chloro-4-cyanophenyl)benzoate
CasNumber: 1355247-89-0
MolecularFormula: C15H10ClNO2
MolecularWeight: 271.6984
MdlNumber: MFCD21333026
Smiles: COC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AE61918
ChemicalName:
Methyl 4-(3-chloro-4-cyanophenyl)benzoate
CasNumber:
1355247-89-0
MolecularFormula:
C15H10ClNO2
MolecularWeight:
271.6984
MdlNumber:
MFCD21333026
Smiles:
COC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AE61919
ChemicalName: 1-Bromo-5-fluoro-2-isopropoxy-3-nitrobenzene
CasNumber: 1375068-62-4
MolecularFormula: C9H9BrFNO3
MolecularWeight: 278.0751
MdlNumber: MFCD22205743
Smiles: CC(Oc1c(Br)cc(cc1[N+](=O)[O-])F)C
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AE61919
ChemicalName:
1-Bromo-5-fluoro-2-isopropoxy-3-nitrobenzene
CasNumber:
1375068-62-4
MolecularFormula:
C9H9BrFNO3
MolecularWeight:
278.0751
MdlNumber:
MFCD22205743
Smiles:
CC(Oc1c(Br)cc(cc1[N+](=O)[O-])F)C
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.3
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Smiles: CN(C(=O)c1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C)C
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CN(C(=O)c1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C)C
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Smiles: COc1ncc(cn1)c1ccc(cc1F)F
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COc1ncc(cn1)c1ccc(cc1F)F
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