AA79644
157654-67-6 | Nsc 632839 hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AA79644
ChemicalName
Nsc 632839 hydrochloride
CasNumber
157654-67-6
MolecularFormula
C21H22ClNO
MolecularWeight
339.85848000000004
MdlNumber
MFCD09753281
Smiles
O=C1C(=Cc2ccc(cc2)C)CNCC1=Cc1ccc(cc1)C.Cl
NscNumber
632839
Complexity
432
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
2
HeavyAtomCount
24
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AA79644
ChemicalName: Nsc 632839 hydrochloride
CasNumber: 157654-67-6
MolecularFormula: C21H22ClNO
MolecularWeight: 339.85848000000004
MdlNumber: MFCD09753281
Smiles: O=C1C(=Cc2ccc(cc2)C)CNCC1=Cc1ccc(cc1)C.Cl
NscNumber: 632839
Complexity: 432
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 2
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AA79644
ChemicalName:
Nsc 632839 hydrochloride
CasNumber:
157654-67-6
MolecularFormula:
C21H22ClNO
MolecularWeight:
339.85848000000004
MdlNumber:
MFCD09753281
Smiles:
O=C1C(=Cc2ccc(cc2)C)CNCC1=Cc1ccc(cc1)C.Cl
NscNumber:
632839
Complexity:
432
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
2
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: AA79645
ChemicalName: 3,4-Difluoro-2-methylbenzoic acid
CasNumber: 157652-31-8
MolecularFormula: C8H6F2O2
MolecularWeight: 172.1288
MdlNumber: MFCD07777153
Smiles: OC(=O)c1ccc(c(c1C)F)F
NscNumber: __
Complexity: 184
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AA79645
ChemicalName:
3,4-Difluoro-2-methylbenzoic acid
CasNumber:
157652-31-8
MolecularFormula:
C8H6F2O2
MolecularWeight:
172.1288
MdlNumber:
MFCD07777153
Smiles:
OC(=O)c1ccc(c(c1C)F)F
NscNumber:
__
Complexity:
184
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: AA79646
ChemicalName: Methyl 2-(bromomethyl)-4-fluorobenzoate
CasNumber: 157652-28-3
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.0610232
MdlNumber: MFCD11505951
Smiles: COC(=O)c1ccc(cc1CBr)F
NscNumber: __
Complexity: 187
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AA79646
ChemicalName:
Methyl 2-(bromomethyl)-4-fluorobenzoate
CasNumber:
157652-28-3
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.0610232
MdlNumber:
MFCD11505951
Smiles:
COC(=O)c1ccc(cc1CBr)F
NscNumber:
__
Complexity:
187
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1CBr)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1CBr)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__