AB47705
644982-55-8 | 3-Bromo-5-formylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB47705
ChemicalName
3-Bromo-5-formylbenzonitrile
CasNumber
644982-55-8
MolecularFormula
C8H4BrNO
MolecularWeight
210.0275
MdlNumber
MFCD09261040
Smiles
O=Cc1cc(C#N)cc(c1)Br
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB47705
ChemicalName: 3-Bromo-5-formylbenzonitrile
CasNumber: 644982-55-8
MolecularFormula: C8H4BrNO
MolecularWeight: 210.0275
MdlNumber: MFCD09261040
Smiles: O=Cc1cc(C#N)cc(c1)Br
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB47705
ChemicalName:
3-Bromo-5-formylbenzonitrile
CasNumber:
644982-55-8
MolecularFormula:
C8H4BrNO
MolecularWeight:
210.0275
MdlNumber:
MFCD09261040
Smiles:
O=Cc1cc(C#N)cc(c1)Br
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity: 198
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity:
198
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47708
ChemicalName: 3-Chlorothieno[2,3-b]pyridine-2-carboxylic acid
CasNumber: 937640-24-9
MolecularFormula: C8H4ClNO2S
MolecularWeight: 213.6409
MdlNumber: MFCD08695793
Smiles: OC(=O)c1sc2c(c1Cl)cccn2
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB47708
ChemicalName:
3-Chlorothieno[2,3-b]pyridine-2-carboxylic acid
CasNumber:
937640-24-9
MolecularFormula:
C8H4ClNO2S
MolecularWeight:
213.6409
MdlNumber:
MFCD08695793
Smiles:
OC(=O)c1sc2c(c1Cl)cccn2
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.7