AF00705
1437794-65-4 | Methyl 5-bromo-2-(cyanomethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AF00705
ChemicalName
Methyl 5-bromo-2-(cyanomethyl)benzoate
CasNumber
1437794-65-4
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD22570383
Smiles
N#CCc1ccc(cc1C(=O)OC)Br
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AF00705
ChemicalName: Methyl 5-bromo-2-(cyanomethyl)benzoate
CasNumber: 1437794-65-4
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD22570383
Smiles: N#CCc1ccc(cc1C(=O)OC)Br
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AF00705
ChemicalName:
Methyl 5-bromo-2-(cyanomethyl)benzoate
CasNumber:
1437794-65-4
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD22570383
Smiles:
N#CCc1ccc(cc1C(=O)OC)Br
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AF00706
ChemicalName: Methyl 7-bromo-1-cyclopentyl-1,3-benzodiazole-5-carboxylate
CasNumber: 1445322-61-1
MolecularFormula: C14H15BrN2O2
MolecularWeight: 323.1851
MdlNumber: MFCD25121770
Smiles: COC(=O)c1cc(Br)c2c(c1)ncn2C1CCCC1
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AF00706
ChemicalName:
Methyl 7-bromo-1-cyclopentyl-1,3-benzodiazole-5-carboxylate
CasNumber:
1445322-61-1
MolecularFormula:
C14H15BrN2O2
MolecularWeight:
323.1851
MdlNumber:
MFCD25121770
Smiles:
COC(=O)c1cc(Br)c2c(c1)ncn2C1CCCC1
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCn1cnc2c1c(Br)cc(c2)C(=O)OC
Complexity: 288
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCn1cnc2c1c(Br)cc(c2)C(=O)OC
Complexity:
288
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AF00709
ChemicalName: 1-Benzoyl-3-(4-cyanophenyl)thiourea
CasNumber: 1448-64-2
MolecularFormula: C15H11N3OS
MolecularWeight: 281.3323
MdlNumber: MFCD00587941
Smiles: N#Cc1ccc(cc1)NC(=S)NC(=O)c1ccccc1
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AF00709
ChemicalName:
1-Benzoyl-3-(4-cyanophenyl)thiourea
CasNumber:
1448-64-2
MolecularFormula:
C15H11N3OS
MolecularWeight:
281.3323
MdlNumber:
MFCD00587941
Smiles:
N#Cc1ccc(cc1)NC(=S)NC(=O)c1ccccc1
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.7