AB70073
66799-93-7 | 7-Bromobenzo[d][1,3]dioxole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB70073
ChemicalName
7-Bromobenzo[d][1,3]dioxole-5-carboxylic acid
CasNumber
66799-93-7
MolecularFormula
C8H5BrO4
MolecularWeight
245.0269
MdlNumber
MFCD06496489
Smiles
OC(=O)c1cc(Br)c2c(c1)OCO2
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB70073
ChemicalName: 7-Bromobenzo[d][1,3]dioxole-5-carboxylic acid
CasNumber: 66799-93-7
MolecularFormula: C8H5BrO4
MolecularWeight: 245.0269
MdlNumber: MFCD06496489
Smiles: OC(=O)c1cc(Br)c2c(c1)OCO2
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB70073
ChemicalName:
7-Bromobenzo[d][1,3]dioxole-5-carboxylic acid
CasNumber:
66799-93-7
MolecularFormula:
C8H5BrO4
MolecularWeight:
245.0269
MdlNumber:
MFCD06496489
Smiles:
OC(=O)c1cc(Br)c2c(c1)OCO2
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc2c1ocn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc2c1ocn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1coc2c(c1=O)ccc(c2)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1coc2c(c1=O)ccc(c2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB70076
ChemicalName: 7-Bromoindole
CasNumber: 51417-51-7
MolecularFormula: C8H6BrN
MolecularWeight: 196.0439
MdlNumber: MFCD00799492
Smiles: Brc1cccc2c1[nH]cc2
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
AB70076
ChemicalName:
7-Bromoindole
CasNumber:
51417-51-7
MolecularFormula:
C8H6BrN
MolecularWeight:
196.0439
MdlNumber:
MFCD00799492
Smiles:
Brc1cccc2c1[nH]cc2
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
3.5