AI39604
180031-12-3 | Methyl 4-chloro-3-hydroxy-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI39604
ChemicalName
Methyl 4-chloro-3-hydroxy-5-nitrobenzoate
CasNumber
180031-12-3
MolecularFormula
C8H6ClNO5
MolecularWeight
231.58993999999998
MdlNumber
MFCD28397262
Smiles
COC(=O)c1cc(O)c(c(c1)[N+](=O)[O-])Cl
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AI39604
ChemicalName: Methyl 4-chloro-3-hydroxy-5-nitrobenzoate
CasNumber: 180031-12-3
MolecularFormula: C8H6ClNO5
MolecularWeight: 231.58993999999998
MdlNumber: MFCD28397262
Smiles: COC(=O)c1cc(O)c(c(c1)[N+](=O)[O-])Cl
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AI39604
ChemicalName:
Methyl 4-chloro-3-hydroxy-5-nitrobenzoate
CasNumber:
180031-12-3
MolecularFormula:
C8H6ClNO5
MolecularWeight:
231.58993999999998
MdlNumber:
MFCD28397262
Smiles:
COC(=O)c1cc(O)c(c(c1)[N+](=O)[O-])Cl
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: Clc1ccc2c(c1)c(C)cc(n2)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccc2c(c1)c(C)cc(n2)Br
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC1=CC(=NC2=C1C=CC=C2Cl)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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Smiles:
CC1=CC(=NC2=C1C=CC=C2Cl)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC1(C)OB(OC1(C)C)c1cc(N)cnc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1cc(N)cnc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__