AA26999
1237071-49-6 | 2-Chloro-4-(3-methoxyphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA26999
ChemicalName
2-Chloro-4-(3-methoxyphenyl)benzoic acid
CasNumber
1237071-49-6
MolecularFormula
C14H11ClO3
MolecularWeight
262.6883
MdlNumber
MFCD18319507
Smiles
COc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AA26999
ChemicalName: 2-Chloro-4-(3-methoxyphenyl)benzoic acid
CasNumber: 1237071-49-6
MolecularFormula: C14H11ClO3
MolecularWeight: 262.6883
MdlNumber: MFCD18319507
Smiles: COc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA26999
ChemicalName:
2-Chloro-4-(3-methoxyphenyl)benzoic acid
CasNumber:
1237071-49-6
MolecularFormula:
C14H11ClO3
MolecularWeight:
262.6883
MdlNumber:
MFCD18319507
Smiles:
COc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COCO[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cc(C=O)c(c2)OCOC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COCO[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cc(C=O)c(c2)OCOC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: OC(=O)[C@H](Cc1c(C)cc(cc1C)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)[C@H](Cc1c(C)cc(cc1C)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: COc1cc(Br)c(c2c1c(OC)c(Br)cc2OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Br)c(c2c1c(OC)c(Br)cc2OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__