AV18582
1314976-74-3 | 1-(5-Chloro-2-methylphenyl)propan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AV18582
ChemicalName
1-(5-Chloro-2-methylphenyl)propan-1-ol
CasNumber
1314976-74-3
MolecularFormula
C10H13ClO
MolecularWeight
184.6626
MdlNumber
MFCD11521240
Smiles
Cc1ccc(cc1C(CC)O)Cl
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
3
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CatalogNumber: AV18582
ChemicalName: 1-(5-Chloro-2-methylphenyl)propan-1-ol
CasNumber: 1314976-74-3
MolecularFormula: C10H13ClO
MolecularWeight: 184.6626
MdlNumber: MFCD11521240
Smiles: Cc1ccc(cc1C(CC)O)Cl
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AV18582
ChemicalName:
1-(5-Chloro-2-methylphenyl)propan-1-ol
CasNumber:
1314976-74-3
MolecularFormula:
C10H13ClO
MolecularWeight:
184.6626
MdlNumber:
MFCD11521240
Smiles:
Cc1ccc(cc1C(CC)O)Cl
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
3
CatalogNumber: AV18583
ChemicalName: 2-(Phenylsulfonyl)nicotinaldehyde
CasNumber: 1161864-92-1
MolecularFormula: C12H9NO3S
MolecularWeight: 247.2698
MdlNumber: MFCD29917041
Smiles: O=Cc1cccnc1S(=O)(=O)c1ccccc1
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AV18583
ChemicalName:
2-(Phenylsulfonyl)nicotinaldehyde
CasNumber:
1161864-92-1
MolecularFormula:
C12H9NO3S
MolecularWeight:
247.2698
MdlNumber:
MFCD29917041
Smiles:
O=Cc1cccnc1S(=O)(=O)c1ccccc1
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1nnc2n1cccc2)N.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1nnc2n1cccc2)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)CNC(=O)c1cc2c([nH]1)cc(cc2)Br
Complexity: 393
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)CNC(=O)c1cc2c([nH]1)cc(cc2)Br
Complexity:
393
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.8