AB75749
453566-15-9 | Methyl 3-bromo-5-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75749
ChemicalName
Methyl 3-bromo-5-cyanobenzoate
CasNumber
453566-15-9
MolecularFormula
C9H6BrNO2
MolecularWeight
240.0534
MdlNumber
MFCD16620379
Smiles
COC(=O)c1cc(Br)cc(c1)C#N
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB75749
ChemicalName: Methyl 3-bromo-5-cyanobenzoate
CasNumber: 453566-15-9
MolecularFormula: C9H6BrNO2
MolecularWeight: 240.0534
MdlNumber: MFCD16620379
Smiles: COC(=O)c1cc(Br)cc(c1)C#N
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB75749
ChemicalName:
Methyl 3-bromo-5-cyanobenzoate
CasNumber:
453566-15-9
MolecularFormula:
C9H6BrNO2
MolecularWeight:
240.0534
MdlNumber:
MFCD16620379
Smiles:
COC(=O)c1cc(Br)cc(c1)C#N
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AB75750
ChemicalName: Methyl 3-bromo-5-ethoxybenzoate
CasNumber: 860695-64-3
MolecularFormula: C10H11BrO3
MolecularWeight: 259.0965
MdlNumber: MFCD16295085
Smiles: CCOc1cc(Br)cc(c1)C(=O)OC
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AB75750
ChemicalName:
Methyl 3-bromo-5-ethoxybenzoate
CasNumber:
860695-64-3
MolecularFormula:
C10H11BrO3
MolecularWeight:
259.0965
MdlNumber:
MFCD16295085
Smiles:
CCOc1cc(Br)cc(c1)C(=O)OC
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: AB75751
ChemicalName: Methyl 3-bromo-5-formylbenzoate
CasNumber: 377734-27-5
MolecularFormula: C9H7BrO3
MolecularWeight: 243.0541
MdlNumber: MFCD22381229
Smiles: COC(=O)c1cc(C=O)cc(c1)Br
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AB75751
ChemicalName:
Methyl 3-bromo-5-formylbenzoate
CasNumber:
377734-27-5
MolecularFormula:
C9H7BrO3
MolecularWeight:
243.0541
MdlNumber:
MFCD22381229
Smiles:
COC(=O)c1cc(C=O)cc(c1)Br
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.3
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Smiles: COC(=O)c1[nH]c2c(c1Br)cccc2
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Smiles:
COC(=O)c1[nH]c2c(c1Br)cccc2
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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