AE71308
124341-37-3 | 3-(Methylamino)-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE71308
ChemicalName
3-(Methylamino)-2-nitrobenzoic acid
CasNumber
124341-37-3
MolecularFormula
C8H8N2O4
MolecularWeight
196.1601
MdlNumber
MFCD18826010
Smiles
CNc1cccc(c1[N+](=O)[O-])C(=O)O
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AE71308
ChemicalName: 3-(Methylamino)-2-nitrobenzoic acid
CasNumber: 124341-37-3
MolecularFormula: C8H8N2O4
MolecularWeight: 196.1601
MdlNumber: MFCD18826010
Smiles: CNc1cccc(c1[N+](=O)[O-])C(=O)O
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AE71308
ChemicalName:
3-(Methylamino)-2-nitrobenzoic acid
CasNumber:
124341-37-3
MolecularFormula:
C8H8N2O4
MolecularWeight:
196.1601
MdlNumber:
MFCD18826010
Smiles:
CNc1cccc(c1[N+](=O)[O-])C(=O)O
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.8
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Smiles: O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C
Complexity:
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HeavyAtomCount:
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Smiles: COC(=O)c1c(N)cc(c(c1F)F)F
Complexity: __
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Smiles:
COC(=O)c1c(N)cc(c(c1F)F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cc1ccc2c(c1)nc(s2)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1ccc2c(c1)nc(s2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__