AB61893
10421-85-9 | 2-Chloromandelic acid
Manufacturer: A2B Chem
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CatalogNumber
AB61893
ChemicalName
2-Chloromandelic acid
CasNumber
10421-85-9
MolecularFormula
C8H7ClO3
MolecularWeight
186.5924
MdlNumber
MFCD00084962
Smiles
OC(=O)C(c1ccccc1Cl)O
NscNumber
31401
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AB61893
ChemicalName: 2-Chloromandelic acid
CasNumber: 10421-85-9
MolecularFormula: C8H7ClO3
MolecularWeight: 186.5924
MdlNumber: MFCD00084962
Smiles: OC(=O)C(c1ccccc1Cl)O
NscNumber: 31401
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AB61893
ChemicalName:
2-Chloromandelic acid
CasNumber:
10421-85-9
MolecularFormula:
C8H7ClO3
MolecularWeight:
186.5924
MdlNumber:
MFCD00084962
Smiles:
OC(=O)C(c1ccccc1Cl)O
NscNumber:
31401
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: AB61894
ChemicalName: 2-Chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine, HCl
CasNumber: 153259-31-5
MolecularFormula: C11H17Cl2NO2
MolecularWeight: 266.1642
MdlNumber: MFCD06658231
Smiles: Cc1c(OCCCOC)ccnc1CCl.Cl
NscNumber: __
Complexity: 169
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB61894
ChemicalName:
2-Chloromethyl-3-methyl-4-(3-methoxypropoxy)pyridine, HCl
CasNumber:
153259-31-5
MolecularFormula:
C11H17Cl2NO2
MolecularWeight:
266.1642
MdlNumber:
MFCD06658231
Smiles:
Cc1c(OCCCOC)ccnc1CCl.Cl
NscNumber:
__
Complexity:
169
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1nc2c([nH]1)cccc2
NscNumber: __
Complexity: 140
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1nc2c([nH]1)cccc2
NscNumber:
__
Complexity:
140
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)N[C@@H](c1ccccc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)N[C@@H](c1ccccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__