AH90731
90004-80-1 | 2-(3-Bromo-4-chlorophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AH90731
ChemicalName
2-(3-Bromo-4-chlorophenyl)acetic acid
CasNumber
90004-80-1
MolecularFormula
C8H6BrClO2
MolecularWeight
249.48904
MdlNumber
MFCD18390582
Smiles
OC(=O)Cc1ccc(c(c1)Br)Cl
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AH90731
ChemicalName: 2-(3-Bromo-4-chlorophenyl)acetic acid
CasNumber: 90004-80-1
MolecularFormula: C8H6BrClO2
MolecularWeight: 249.48904
MdlNumber: MFCD18390582
Smiles: OC(=O)Cc1ccc(c(c1)Br)Cl
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AH90731
ChemicalName:
2-(3-Bromo-4-chlorophenyl)acetic acid
CasNumber:
90004-80-1
MolecularFormula:
C8H6BrClO2
MolecularWeight:
249.48904
MdlNumber:
MFCD18390582
Smiles:
OC(=O)Cc1ccc(c(c1)Br)Cl
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC=CC(=O)O[C@@H]1C[C@@H]2O[C@@H]2[C@@H]([C@]2([C@@]1(C)[C@](O)(CC2)C(C)C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC=CC(=O)O[C@@H]1C[C@@H]2O[C@@H]2[C@@H]([C@]2([C@@]1(C)[C@](O)(CC2)C(C)C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH90733
ChemicalName: 6-Chloro-2-fluoro-3-hydroxypyridine
CasNumber: 883107-68-4
MolecularFormula: C5H3ClFNO
MolecularWeight: 147.5348
MdlNumber: MFCD07437887
Smiles: Clc1ccc(c(n1)F)O
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AH90733
ChemicalName:
6-Chloro-2-fluoro-3-hydroxypyridine
CasNumber:
883107-68-4
MolecularFormula:
C5H3ClFNO
MolecularWeight:
147.5348
MdlNumber:
MFCD07437887
Smiles:
Clc1ccc(c(n1)F)O
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCN(CC1=CC=C(C=C1)C=C)C2=NC(=S)NC(=S)N2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCN(CC1=CC=C(C=C1)C=C)C2=NC(=S)NC(=S)N2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__