AG33019
52369-61-6 | 2-[(2-Methylpropyl)sulfanyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG33019
ChemicalName
2-[(2-Methylpropyl)sulfanyl]benzoic acid
CasNumber
52369-61-6
MolecularFormula
C11H14O2S
MolecularWeight
210.2927
MdlNumber
MFCD02729265
Smiles
CC(CSc1ccccc1C(=O)O)C
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AG33019
ChemicalName: 2-[(2-Methylpropyl)sulfanyl]benzoic acid
CasNumber: 52369-61-6
MolecularFormula: C11H14O2S
MolecularWeight: 210.2927
MdlNumber: MFCD02729265
Smiles: CC(CSc1ccccc1C(=O)O)C
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AG33019
ChemicalName:
2-[(2-Methylpropyl)sulfanyl]benzoic acid
CasNumber:
52369-61-6
MolecularFormula:
C11H14O2S
MolecularWeight:
210.2927
MdlNumber:
MFCD02729265
Smiles:
CC(CSc1ccccc1C(=O)O)C
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)Cl)N.Cl
Complexity: 97.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)Cl)N.Cl
Complexity:
97.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG33021
ChemicalName: Methyl 3-methyl-5-nitrobenzoate
CasNumber: 482311-23-9
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD12172988
Smiles: COC(=O)c1cc(C)cc(c1)[N+](=O)[O-]
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AG33021
ChemicalName:
Methyl 3-methyl-5-nitrobenzoate
CasNumber:
482311-23-9
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD12172988
Smiles:
COC(=O)c1cc(C)cc(c1)[N+](=O)[O-]
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: AG33022
ChemicalName: N-Cyclohexyl L-Valinamide
CasNumber: 46339-96-2
MolecularFormula: C11H22N2O
MolecularWeight: 198.3052
MdlNumber: MFCD15144647
Smiles: N[C@H](C(=O)NC1CCCCC1)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG33022
ChemicalName:
N-Cyclohexyl L-Valinamide
CasNumber:
46339-96-2
MolecularFormula:
C11H22N2O
MolecularWeight:
198.3052
MdlNumber:
MFCD15144647
Smiles:
N[C@H](C(=O)NC1CCCCC1)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__