AB66903
56518-42-4 | 4-Bromo-3,5-dimethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66903
ChemicalName
4-Bromo-3,5-dimethoxybenzoic acid
CasNumber
56518-42-4
MolecularFormula
C9H9BrO4
MolecularWeight
261.0694
MdlNumber
MFCD01632140
Smiles
COc1cc(cc(c1Br)OC)C(=O)O
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AB66903
ChemicalName: 4-Bromo-3,5-dimethoxybenzoic acid
CasNumber: 56518-42-4
MolecularFormula: C9H9BrO4
MolecularWeight: 261.0694
MdlNumber: MFCD01632140
Smiles: COc1cc(cc(c1Br)OC)C(=O)O
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB66903
ChemicalName:
4-Bromo-3,5-dimethoxybenzoic acid
CasNumber:
56518-42-4
MolecularFormula:
C9H9BrO4
MolecularWeight:
261.0694
MdlNumber:
MFCD01632140
Smiles:
COc1cc(cc(c1Br)OC)C(=O)O
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AB66904
ChemicalName: 4-Bromo-3,5-dimethyl-1-(tetrahydropyran-2-yl)pyrazole
CasNumber: 1187385-69-8
MolecularFormula: C10H15BrN2O
MolecularWeight: 259.1429
MdlNumber: MFCD11844792
Smiles: Cc1nn(c(c1Br)C)C1CCCCO1
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB66904
ChemicalName:
4-Bromo-3,5-dimethyl-1-(tetrahydropyran-2-yl)pyrazole
CasNumber:
1187385-69-8
MolecularFormula:
C10H15BrN2O
MolecularWeight:
259.1429
MdlNumber:
MFCD11844792
Smiles:
Cc1nn(c(c1Br)C)C1CCCCO1
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: AB66905
ChemicalName: 4-Bromo-3,5-dimethylbenzonitrile
CasNumber: 75344-77-3
MolecularFormula: C9H8BrN
MolecularWeight: 210.0705
MdlNumber: MFCD07369910
Smiles: N#Cc1cc(C)c(c(c1)C)Br
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AB66905
ChemicalName:
4-Bromo-3,5-dimethylbenzonitrile
CasNumber:
75344-77-3
MolecularFormula:
C9H8BrN
MolecularWeight:
210.0705
MdlNumber:
MFCD07369910
Smiles:
N#Cc1cc(C)c(c(c1)C)Br
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: AB66906
ChemicalName: 4-Bromo-3,5-dimethylisoxazole
CasNumber: 10558-25-5
MolecularFormula: C5H6BrNO
MolecularWeight: 176.0112
MdlNumber: MFCD00068187
Smiles: Brc1c(C)noc1C
Complexity: 88.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AB66906
ChemicalName:
4-Bromo-3,5-dimethylisoxazole
CasNumber:
10558-25-5
MolecularFormula:
C5H6BrNO
MolecularWeight:
176.0112
MdlNumber:
MFCD00068187
Smiles:
Brc1c(C)noc1C
Complexity:
88.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9