AI57298
853796-39-1 | 2-(4-Bromo-2-methylphenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57298
ChemicalName
2-(4-Bromo-2-methylphenyl)acetic acid
CasNumber
853796-39-1
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD11847560
Smiles
OC(=O)Cc1ccc(cc1C)Br
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AI57298
ChemicalName: 2-(4-Bromo-2-methylphenyl)acetic acid
CasNumber: 853796-39-1
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD11847560
Smiles: OC(=O)Cc1ccc(cc1C)Br
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AI57298
ChemicalName:
2-(4-Bromo-2-methylphenyl)acetic acid
CasNumber:
853796-39-1
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD11847560
Smiles:
OC(=O)Cc1ccc(cc1C)Br
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc(Cl)c(cc1Oc1ccccc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc(Cl)c(cc1Oc1ccccc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI57300
ChemicalName: 1-(3-Chloropyridin-2-yl)piperazine hydrochloride
CasNumber: 85386-86-3
MolecularFormula: C9H13Cl2N3
MolecularWeight: 234.1256
MdlNumber: MFCD20484839
Smiles: Clc1cccnc1N1CCNCC1.Cl
Complexity: 159
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AI57300
ChemicalName:
1-(3-Chloropyridin-2-yl)piperazine hydrochloride
CasNumber:
85386-86-3
MolecularFormula:
C9H13Cl2N3
MolecularWeight:
234.1256
MdlNumber:
MFCD20484839
Smiles:
Clc1cccnc1N1CCNCC1.Cl
Complexity:
159
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__