AG71708
61940-21-4 | Methyl 2-(bromomethyl)-6-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG71708
ChemicalName
Methyl 2-(bromomethyl)-6-nitrobenzoate
CasNumber
61940-21-4
MolecularFormula
C9H8BrNO4
MolecularWeight
274.06812
MdlNumber
MFCD04114314
Smiles
COC(=O)c1c(CBr)cccc1[N+](=O)[O-]
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AG71708
ChemicalName: Methyl 2-(bromomethyl)-6-nitrobenzoate
CasNumber: 61940-21-4
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.06812
MdlNumber: MFCD04114314
Smiles: COC(=O)c1c(CBr)cccc1[N+](=O)[O-]
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AG71708
ChemicalName:
Methyl 2-(bromomethyl)-6-nitrobenzoate
CasNumber:
61940-21-4
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.06812
MdlNumber:
MFCD04114314
Smiles:
COC(=O)c1c(CBr)cccc1[N+](=O)[O-]
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.3
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MolecularFormula: __
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Smiles: CC1=C2C3=CC=CC=C3NC2=CC(=N1)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC1=C2C3=CC=CC=C3NC2=CC(=N1)N
Complexity:
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Smiles: CC(C)(C)NCC(C1=CC(=C(C=C1)O)OC)O
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Smiles:
CC(C)(C)NCC(C1=CC(=C(C=C1)O)OC)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: COc1cc2CCN3C(c2cc1OCc1ccccc1)Cc1c(C3)c(O)c(cc1)OCc1ccccc1
Complexity: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc2CCN3C(c2cc1OCc1ccccc1)Cc1c(C3)c(O)c(cc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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