AC24578
827-66-7 | N-Acetyl 2-bromo-5-chloroaniline
Manufacturer: A2B Chem
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CatalogNumber
AC24578
ChemicalName
N-Acetyl 2-bromo-5-chloroaniline
CasNumber
827-66-7
MolecularFormula
C8H7BrClNO
MolecularWeight
248.5043
MdlNumber
MFCD12026007
Smiles
CC(=O)Nc1cc(Cl)ccc1Br
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AC24578
ChemicalName: N-Acetyl 2-bromo-5-chloroaniline
CasNumber: 827-66-7
MolecularFormula: C8H7BrClNO
MolecularWeight: 248.5043
MdlNumber: MFCD12026007
Smiles: CC(=O)Nc1cc(Cl)ccc1Br
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AC24578
ChemicalName:
N-Acetyl 2-bromo-5-chloroaniline
CasNumber:
827-66-7
MolecularFormula:
C8H7BrClNO
MolecularWeight:
248.5043
MdlNumber:
MFCD12026007
Smiles:
CC(=O)Nc1cc(Cl)ccc1Br
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)c1c([nH]2)ccc2c1c[n+](CCN1CCC(CC1)C1CCN(CC1)CC[n+]1ccc3c(c1)c1c(cc3)[nH]c3c1cc(OC)cc3)cc2.[Cl-].[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)c1c([nH]2)ccc2c1c[n+](CCN1CCC(CC1)C1CCN(CC1)CC[n+]1ccc3c(c1)c1c(cc3)[nH]c3c1cc(OC)cc3)cc2.[Cl-].[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1nnc(n1C1CC2CCC(C1)N2)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1nnc(n1C1CC2CCC(C1)N2)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC24596
ChemicalName: (1-Ethyl-1h-pyrazol-4-yl)methylamine
CasNumber: 856696-09-8
MolecularFormula: C6H11N3
MolecularWeight: 125.1716
MdlNumber: MFCD02253772
Smiles: NCc1cnn(c1)CC
Complexity: 84.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AC24596
ChemicalName:
(1-Ethyl-1h-pyrazol-4-yl)methylamine
CasNumber:
856696-09-8
MolecularFormula:
C6H11N3
MolecularWeight:
125.1716
MdlNumber:
MFCD02253772
Smiles:
NCc1cnn(c1)CC
Complexity:
84.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.6