AX55109
1187238-15-8 | 4-Chloro-3-(hydroxymethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55109
ChemicalName
4-Chloro-3-(hydroxymethyl)benzoic acid
CasNumber
1187238-15-8
MolecularFormula
C8H7ClO3
MolecularWeight
186.5924
MdlNumber
MFCD20660527
Smiles
OCc1cc(ccc1Cl)C(=O)O
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AX55109
ChemicalName: 4-Chloro-3-(hydroxymethyl)benzoic acid
CasNumber: 1187238-15-8
MolecularFormula: C8H7ClO3
MolecularWeight: 186.5924
MdlNumber: MFCD20660527
Smiles: OCc1cc(ccc1Cl)C(=O)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AX55109
ChemicalName:
4-Chloro-3-(hydroxymethyl)benzoic acid
CasNumber:
1187238-15-8
MolecularFormula:
C8H7ClO3
MolecularWeight:
186.5924
MdlNumber:
MFCD20660527
Smiles:
OCc1cc(ccc1Cl)C(=O)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: AX55110
ChemicalName: 6-Ethoxy-2-fluoropyridine-3-boronic acid
CasNumber: 2096335-58-7
MolecularFormula: C7H9BFNO3
MolecularWeight: 184.9607
MdlNumber: MFCD18434410
Smiles: CCOc1ccc(c(n1)F)B(O)O
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AX55110
ChemicalName:
6-Ethoxy-2-fluoropyridine-3-boronic acid
CasNumber:
2096335-58-7
MolecularFormula:
C7H9BFNO3
MolecularWeight:
184.9607
MdlNumber:
MFCD18434410
Smiles:
CCOc1ccc(c(n1)F)B(O)O
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnc(nc1)OC1COC1
Complexity: 146
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc(nc1)OC1COC1
Complexity:
146
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__