AI39146
174566-52-0 | 2-Amino-5-bromo-4-nitro-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI39146
ChemicalName
2-Amino-5-bromo-4-nitro-benzoic acid methyl ester
CasNumber
174566-52-0
MolecularFormula
C8H7BrN2O4
MolecularWeight
275.0562
MdlNumber
MFCD28044172
Smiles
COC(=O)c1cc(Br)c(cc1N)[N+](=O)[O-]
Complexity
268
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AI39146
ChemicalName: 2-Amino-5-bromo-4-nitro-benzoic acid methyl ester
CasNumber: 174566-52-0
MolecularFormula: C8H7BrN2O4
MolecularWeight: 275.0562
MdlNumber: MFCD28044172
Smiles: COC(=O)c1cc(Br)c(cc1N)[N+](=O)[O-]
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AI39146
ChemicalName:
2-Amino-5-bromo-4-nitro-benzoic acid methyl ester
CasNumber:
174566-52-0
MolecularFormula:
C8H7BrN2O4
MolecularWeight:
275.0562
MdlNumber:
MFCD28044172
Smiles:
COC(=O)c1cc(Br)c(cc1N)[N+](=O)[O-]
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AI39147
ChemicalName: 4-Ethyl-5-(2-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
CasNumber: 174573-84-3
MolecularFormula: C11H13N3OS
MolecularWeight: 235.3054
MdlNumber: MFCD01164032
Smiles: COc1ccccc1c1nnc(n1CC)S
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AI39147
ChemicalName:
4-Ethyl-5-(2-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
CasNumber:
174573-84-3
MolecularFormula:
C11H13N3OS
MolecularWeight:
235.3054
MdlNumber:
MFCD01164032
Smiles:
COc1ccccc1c1nnc(n1CC)S
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O
Complexity: __
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Smiles:
CCCCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: C1=C(C=C(C=C1C(F)(F)F)N)C2=CC(=CC(=C2)N)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C1=C(C=C(C=C1C(F)(F)F)N)C2=CC(=CC(=C2)N)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__