AB20604
21120-68-3 | 4-(4-Bromophenoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB20604
ChemicalName
4-(4-Bromophenoxy)benzoic acid
CasNumber
21120-68-3
MolecularFormula
C13H9BrO3
MolecularWeight
293.1128
MdlNumber
MFCD01244945
Smiles
Brc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.6
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CatalogNumber: AB20604
ChemicalName: 4-(4-Bromophenoxy)benzoic acid
CasNumber: 21120-68-3
MolecularFormula: C13H9BrO3
MolecularWeight: 293.1128
MdlNumber: MFCD01244945
Smiles: Brc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.6
CatalogNumber:
AB20604
ChemicalName:
4-(4-Bromophenoxy)benzoic acid
CasNumber:
21120-68-3
MolecularFormula:
C13H9BrO3
MolecularWeight:
293.1128
MdlNumber:
MFCD01244945
Smiles:
Brc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.6
CatalogNumber: AB20605
ChemicalName: 4-(4-Chlorophenoxy)benzoic acid
CasNumber: 21120-67-2
MolecularFormula: C13H9ClO3
MolecularWeight: 248.6618
MdlNumber: MFCD01862494
Smiles: Clc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.5
CatalogNumber:
AB20605
ChemicalName:
4-(4-Chlorophenoxy)benzoic acid
CasNumber:
21120-67-2
MolecularFormula:
C13H9ClO3
MolecularWeight:
248.6618
MdlNumber:
MFCD01862494
Smiles:
Clc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.5
CatalogNumber: AB20606
ChemicalName: 4-(4-Methylphenoxy)benzoic acid
CasNumber: 21120-65-0
MolecularFormula: C14H12O3
MolecularWeight: 228.2433
MdlNumber: MFCD01631893
Smiles: Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AB20606
ChemicalName:
4-(4-Methylphenoxy)benzoic acid
CasNumber:
21120-65-0
MolecularFormula:
C14H12O3
MolecularWeight:
228.2433
MdlNumber:
MFCD01631893
Smiles:
Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.8
CatalogNumber: AB20612
ChemicalName: 2,3-Dichloro-6-nitrobenzonitrile
CasNumber: 2112-22-3
MolecularFormula: C7H2Cl2N2O2
MolecularWeight: 217.00898
MdlNumber: MFCD00728596
Smiles: N#Cc1c(ccc(c1Cl)Cl)N(=O)=O
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AB20612
ChemicalName:
2,3-Dichloro-6-nitrobenzonitrile
CasNumber:
2112-22-3
MolecularFormula:
C7H2Cl2N2O2
MolecularWeight:
217.00898
MdlNumber:
MFCD00728596
Smiles:
N#Cc1c(ccc(c1Cl)Cl)N(=O)=O
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7