AF87325
398119-27-2 | 3-Bromo-5-formylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF87325
ChemicalName
3-Bromo-5-formylbenzoic acid
CasNumber
398119-27-2
MolecularFormula
C8H5BrO3
MolecularWeight
229.0275
MdlNumber
MFCD22544371
Smiles
O=Cc1cc(Br)cc(c1)C(=O)O
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AF87325
ChemicalName: 3-Bromo-5-formylbenzoic acid
CasNumber: 398119-27-2
MolecularFormula: C8H5BrO3
MolecularWeight: 229.0275
MdlNumber: MFCD22544371
Smiles: O=Cc1cc(Br)cc(c1)C(=O)O
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AF87325
ChemicalName:
3-Bromo-5-formylbenzoic acid
CasNumber:
398119-27-2
MolecularFormula:
C8H5BrO3
MolecularWeight:
229.0275
MdlNumber:
MFCD22544371
Smiles:
O=Cc1cc(Br)cc(c1)C(=O)O
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1ncc(cc1Br)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1ncc(cc1Br)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF87327
ChemicalName: Ethyl (4-amino-3-iodophenyl)acetate
CasNumber: 405267-73-4
MolecularFormula: C10H12INO2
MolecularWeight: 305.11225
MdlNumber: MFCD10703535
Smiles: CCOC(=O)Cc1ccc(c(c1)I)N
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AF87327
ChemicalName:
Ethyl (4-amino-3-iodophenyl)acetate
CasNumber:
405267-73-4
MolecularFormula:
C10H12INO2
MolecularWeight:
305.11225
MdlNumber:
MFCD10703535
Smiles:
CCOC(=O)Cc1ccc(c(c1)I)N
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(COc1ccc(cc1)Cl)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(COc1ccc(cc1)Cl)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__