AB44864
72135-36-5 | 4-Bromo-2-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44864
ChemicalName
4-Bromo-2-methoxybenzoic acid
CasNumber
72135-36-5
MolecularFormula
C8H7BrO3
MolecularWeight
231.0434
MdlNumber
MFCD07780665
Smiles
COc1cc(Br)ccc1C(=O)O
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB44864
ChemicalName: 4-Bromo-2-methoxybenzoic acid
CasNumber: 72135-36-5
MolecularFormula: C8H7BrO3
MolecularWeight: 231.0434
MdlNumber: MFCD07780665
Smiles: COc1cc(Br)ccc1C(=O)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB44864
ChemicalName:
4-Bromo-2-methoxybenzoic acid
CasNumber:
72135-36-5
MolecularFormula:
C8H7BrO3
MolecularWeight:
231.0434
MdlNumber:
MFCD07780665
Smiles:
COc1cc(Br)ccc1C(=O)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Br)ccc1C(F)(F)F
Complexity: 171
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Br)ccc1C(F)(F)F
Complexity:
171
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: AB44866
ChemicalName: 4-Bromo-2-methylbenzaldehyde
CasNumber: 24078-12-4
MolecularFormula: C8H7BrO
MolecularWeight: 199.0446
MdlNumber: MFCD07787171
Smiles: O=Cc1ccc(cc1C)Br
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB44866
ChemicalName:
4-Bromo-2-methylbenzaldehyde
CasNumber:
24078-12-4
MolecularFormula:
C8H7BrO
MolecularWeight:
199.0446
MdlNumber:
MFCD07787171
Smiles:
O=Cc1ccc(cc1C)Br
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: AB44867
ChemicalName: 4-Bromo-2-methylbenzoic acid
CasNumber: 68837-59-2
MolecularFormula: C8H7BrO2
MolecularWeight: 215.044
MdlNumber: MFCD00040905
Smiles: Brc1ccc(c(c1)C)C(=O)O
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB44867
ChemicalName:
4-Bromo-2-methylbenzoic acid
CasNumber:
68837-59-2
MolecularFormula:
C8H7BrO2
MolecularWeight:
215.044
MdlNumber:
MFCD00040905
Smiles:
Brc1ccc(c(c1)C)C(=O)O
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5