AB41815
30880-72-9 | 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB41815
ChemicalName
3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid
CasNumber
30880-72-9
MolecularFormula
C14H10ClNO5
MolecularWeight
307.6859
MdlNumber
MFCD03421912
Smiles
OC(=O)c1cccc(c1)COc1ccc(cc1Cl)[N+](=O)[O-]
NscNumber
146848
Complexity
386
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.4
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CatalogNumber: AB41815
ChemicalName: 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid
CasNumber: 30880-72-9
MolecularFormula: C14H10ClNO5
MolecularWeight: 307.6859
MdlNumber: MFCD03421912
Smiles: OC(=O)c1cccc(c1)COc1ccc(cc1Cl)[N+](=O)[O-]
NscNumber: 146848
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AB41815
ChemicalName:
3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid
CasNumber:
30880-72-9
MolecularFormula:
C14H10ClNO5
MolecularWeight:
307.6859
MdlNumber:
MFCD03421912
Smiles:
OC(=O)c1cccc(c1)COc1ccc(cc1Cl)[N+](=O)[O-]
NscNumber:
146848
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CSc1ccc(cc1Cl)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MdlNumber:
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Smiles:
OC(=O)CSc1ccc(cc1Cl)[N+](=O)[O-]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: CC(=O)c1ccc2c(c1)NCCO2
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(=O)c1ccc2c(c1)NCCO2
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: CCC1=C(CC=C1)[WH2]C1=C(CC)C=CC1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC1=C(CC=C1)[WH2]C1=C(CC)C=CC1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__