AB66984
98600-34-1 | 4-Bromo-3-formylindole
Manufacturer: A2B Chem
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CatalogNumber
AB66984
ChemicalName
4-Bromo-3-formylindole
CasNumber
98600-34-1
MolecularFormula
C9H6BrNO
MolecularWeight
224.054
MdlNumber
MFCD05864695
Smiles
O=Cc1c[nH]c2c1c(Br)ccc2
Complexity
185
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AB66984
ChemicalName: 4-Bromo-3-formylindole
CasNumber: 98600-34-1
MolecularFormula: C9H6BrNO
MolecularWeight: 224.054
MdlNumber: MFCD05864695
Smiles: O=Cc1c[nH]c2c1c(Br)ccc2
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB66984
ChemicalName:
4-Bromo-3-formylindole
CasNumber:
98600-34-1
MolecularFormula:
C9H6BrNO
MolecularWeight:
224.054
MdlNumber:
MFCD05864695
Smiles:
O=Cc1c[nH]c2c1c(Br)ccc2
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: AB66985
ChemicalName: 4-Bromoindoline
CasNumber: 86626-38-2
MolecularFormula: C8H8BrN
MolecularWeight: 198.0598
MdlNumber: MFCD07371633
Smiles: Brc1cccc2c1CCN2
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
AB66985
ChemicalName:
4-Bromoindoline
CasNumber:
86626-38-2
MolecularFormula:
C8H8BrN
MolecularWeight:
198.0598
MdlNumber:
MFCD07371633
Smiles:
Brc1cccc2c1CCN2
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc2c1CCN2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc2c1CCN2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB66987
ChemicalName: 4-Bromoisophthalic acid
CasNumber: 6939-93-1
MolecularFormula: C8H5BrO4
MolecularWeight: 245.0269
MdlNumber: MFCD00002404
Smiles: OC(=O)c1ccc(c(c1)C(=O)O)Br
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB66987
ChemicalName:
4-Bromoisophthalic acid
CasNumber:
6939-93-1
MolecularFormula:
C8H5BrO4
MolecularWeight:
245.0269
MdlNumber:
MFCD00002404
Smiles:
OC(=O)c1ccc(c(c1)C(=O)O)Br
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7