AA14503
116-69-8 | 3-Bromophthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AA14503
ChemicalName
3-Bromophthalic acid
CasNumber
116-69-8
MolecularFormula
C8H5BrO4
MolecularWeight
245.0269
MdlNumber
MFCD17069368
Smiles
OC(=O)c1c(Br)cccc1C(=O)O
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AA14503
ChemicalName: 3-Bromophthalic acid
CasNumber: 116-69-8
MolecularFormula: C8H5BrO4
MolecularWeight: 245.0269
MdlNumber: MFCD17069368
Smiles: OC(=O)c1c(Br)cccc1C(=O)O
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AA14503
ChemicalName:
3-Bromophthalic acid
CasNumber:
116-69-8
MolecularFormula:
C8H5BrO4
MolecularWeight:
245.0269
MdlNumber:
MFCD17069368
Smiles:
OC(=O)c1c(Br)cccc1C(=O)O
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA14506
ChemicalName: 1-Amino-2-naphthol-4-sulfonic acid
CasNumber: 116-63-2
MolecularFormula: C10H9NO4S
MolecularWeight: 239.2478
MdlNumber: MFCD00004019
Smiles: Nc1c(O)cc(c2c1cccc2)S(=O)(=O)O
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AA14506
ChemicalName:
1-Amino-2-naphthol-4-sulfonic acid
CasNumber:
116-63-2
MolecularFormula:
C10H9NO4S
MolecularWeight:
239.2478
MdlNumber:
MFCD00004019
Smiles:
Nc1c(O)cc(c2c1cccc2)S(=O)(=O)O
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(Cl)Cl
Complexity: 71.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(Cl)Cl
Complexity:
71.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5