AF00723
1437794-56-3 | (5-Chloro-4-methyl-2-nitrophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00723
ChemicalName
(5-Chloro-4-methyl-2-nitrophenyl)acetic acid
CasNumber
1437794-56-3
MolecularFormula
C9H8ClNO4
MolecularWeight
229.6171
MdlNumber
MFCD24448778
Smiles
OC(=O)Cc1cc(Cl)c(cc1[N+](=O)[O-])C
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AF00723
ChemicalName: (5-Chloro-4-methyl-2-nitrophenyl)acetic acid
CasNumber: 1437794-56-3
MolecularFormula: C9H8ClNO4
MolecularWeight: 229.6171
MdlNumber: MFCD24448778
Smiles: OC(=O)Cc1cc(Cl)c(cc1[N+](=O)[O-])C
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AF00723
ChemicalName:
(5-Chloro-4-methyl-2-nitrophenyl)acetic acid
CasNumber:
1437794-56-3
MolecularFormula:
C9H8ClNO4
MolecularWeight:
229.6171
MdlNumber:
MFCD24448778
Smiles:
OC(=O)Cc1cc(Cl)c(cc1[N+](=O)[O-])C
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AF00724
ChemicalName: 4-Chloro-3-(methylthio)benzoic acid
CasNumber: 166811-60-5
MolecularFormula: C8H7ClO2S
MolecularWeight: 202.658
MdlNumber: MFCD11501903
Smiles: CSc1cc(ccc1Cl)C(=O)O
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AF00724
ChemicalName:
4-Chloro-3-(methylthio)benzoic acid
CasNumber:
166811-60-5
MolecularFormula:
C8H7ClO2S
MolecularWeight:
202.658
MdlNumber:
MFCD11501903
Smiles:
CSc1cc(ccc1Cl)C(=O)O
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AF00725
ChemicalName: 4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile
CasNumber: 186000-52-2
MolecularFormula: C14H10ClNO
MolecularWeight: 243.6883
MdlNumber: MFCD22205837
Smiles: N#Cc1ccc(cc1)C(c1cccc(c1)Cl)O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AF00725
ChemicalName:
4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile
CasNumber:
186000-52-2
MolecularFormula:
C14H10ClNO
MolecularWeight:
243.6883
MdlNumber:
MFCD22205837
Smiles:
N#Cc1ccc(cc1)C(c1cccc(c1)Cl)O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: CCCCN1CCC(CC1)N.Cl.Cl
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Smiles:
CCCCN1CCC(CC1)N.Cl.Cl
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HydrogenBondDonorCount:
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RotatableBondCount:
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