AC24474
866783-13-3 | (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane HCl
Manufacturer: A2B Chem
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CatalogNumber
AC24474
ChemicalName
(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane HCl
CasNumber
866783-13-3
MolecularFormula
C12H18ClNO2
MolecularWeight
243.7298
MdlNumber
MFCD13194843
Smiles
CNC[C@H]1Cc2c1cc(c(c2)OC)OC.Cl
Complexity
210
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AC24474
ChemicalName: (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane HCl
CasNumber: 866783-13-3
MolecularFormula: C12H18ClNO2
MolecularWeight: 243.7298
MdlNumber: MFCD13194843
Smiles: CNC[C@H]1Cc2c1cc(c(c2)OC)OC.Cl
Complexity: 210
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AC24474
ChemicalName:
(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane HCl
CasNumber:
866783-13-3
MolecularFormula:
C12H18ClNO2
MolecularWeight:
243.7298
MdlNumber:
MFCD13194843
Smiles:
CNC[C@H]1Cc2c1cc(c(c2)OC)OC.Cl
Complexity:
210
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(c1ccccc1Cl)N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(c1ccccc1Cl)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)CC(C(=O)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)CC(C(=O)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AC24486
ChemicalName: 3-(Difluoromethoxy)phenylboronic acid
CasNumber: 866607-09-2
MolecularFormula: C7H7BF2O3
MolecularWeight: 187.9364864
MdlNumber: MFCD08706282
Smiles: FC(Oc1cccc(c1)B(O)O)F
Complexity: 157
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AC24486
ChemicalName:
3-(Difluoromethoxy)phenylboronic acid
CasNumber:
866607-09-2
MolecularFormula:
C7H7BF2O3
MolecularWeight:
187.9364864
MdlNumber:
MFCD08706282
Smiles:
FC(Oc1cccc(c1)B(O)O)F
Complexity:
157
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3