AC96602
938310-95-3 | 3-Bromo-4-(2-pyrrolidinoethoxy)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AC96602
ChemicalName
3-Bromo-4-(2-pyrrolidinoethoxy)benzaldehyde
CasNumber
938310-95-3
MolecularFormula
C13H16BrNO2
MolecularWeight
298.1756
MdlNumber
MFCD09710954
Smiles
O=Cc1ccc(c(c1)Br)OCCN1CCCC1
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
2.6
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CatalogNumber: AC96602
ChemicalName: 3-Bromo-4-(2-pyrrolidinoethoxy)benzaldehyde
CasNumber: 938310-95-3
MolecularFormula: C13H16BrNO2
MolecularWeight: 298.1756
MdlNumber: MFCD09710954
Smiles: O=Cc1ccc(c(c1)Br)OCCN1CCCC1
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AC96602
ChemicalName:
3-Bromo-4-(2-pyrrolidinoethoxy)benzaldehyde
CasNumber:
938310-95-3
MolecularFormula:
C13H16BrNO2
MolecularWeight:
298.1756
MdlNumber:
MFCD09710954
Smiles:
O=Cc1ccc(c(c1)Br)OCCN1CCCC1
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=S(=O)(c1ccccc1)N=[N+]=[N-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=S(=O)(c1ccccc1)N=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC96622
ChemicalName: 1-Phenylvinylboronic acid, neopentyl glycol ester
CasNumber: 938080-25-2
MolecularFormula: C13H17BO2
MolecularWeight: 216.08388
MdlNumber: MFCD11504945
Smiles: C=C(c1ccccc1)B1OCC(CO1)(C)C
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AC96622
ChemicalName:
1-Phenylvinylboronic acid, neopentyl glycol ester
CasNumber:
938080-25-2
MolecularFormula:
C13H17BO2
MolecularWeight:
216.08388
MdlNumber:
MFCD11504945
Smiles:
C=C(c1ccccc1)B1OCC(CO1)(C)C
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)N(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)N(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__