AA89612
16732-69-7 | Ethyl 7-bromo-1H-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA89612
ChemicalName
Ethyl 7-bromo-1H-indole-2-carboxylate
CasNumber
16732-69-7
MolecularFormula
C11H10BrNO2
MolecularWeight
268.1066
MdlNumber
MFCD04972046
Smiles
CCOC(=O)c1cc2c([nH]1)c(Br)ccc2
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.9
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CatalogNumber: AA89612
ChemicalName: Ethyl 7-bromo-1H-indole-2-carboxylate
CasNumber: 16732-69-7
MolecularFormula: C11H10BrNO2
MolecularWeight: 268.1066
MdlNumber: MFCD04972046
Smiles: CCOC(=O)c1cc2c([nH]1)c(Br)ccc2
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AA89612
ChemicalName:
Ethyl 7-bromo-1H-indole-2-carboxylate
CasNumber:
16732-69-7
MolecularFormula:
C11H10BrNO2
MolecularWeight:
268.1066
MdlNumber:
MFCD04972046
Smiles:
CCOC(=O)c1cc2c([nH]1)c(Br)ccc2
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1ccccc1Br
Complexity: 87.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1ccccc1Br
Complexity:
87.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity: 222
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity:
222
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AA89615
ChemicalName: 4-Bromo-1H-indole-2-carboxylic acid
CasNumber: 16732-64-2
MolecularFormula: C9H6BrNO2
MolecularWeight: 240.0534
MdlNumber: MFCD21607478
Smiles: OC(=O)c1cc2c([nH]1)cccc2Br
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA89615
ChemicalName:
4-Bromo-1H-indole-2-carboxylic acid
CasNumber:
16732-64-2
MolecularFormula:
C9H6BrNO2
MolecularWeight:
240.0534
MdlNumber:
MFCD21607478
Smiles:
OC(=O)c1cc2c([nH]1)cccc2Br
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
3