AB17106
206548-13-2 | 2-Amino-5-bromo-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB17106
ChemicalName
2-Amino-5-bromo-3-methylbenzoic acid
CasNumber
206548-13-2
MolecularFormula
C8H8BrNO2
MolecularWeight
230.0586
MdlNumber
MFCD05664860
Smiles
Brc1cc(C)c(c(c1)C(=O)O)N
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB17106
ChemicalName: 2-Amino-5-bromo-3-methylbenzoic acid
CasNumber: 206548-13-2
MolecularFormula: C8H8BrNO2
MolecularWeight: 230.0586
MdlNumber: MFCD05664860
Smiles: Brc1cc(C)c(c(c1)C(=O)O)N
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB17106
ChemicalName:
2-Amino-5-bromo-3-methylbenzoic acid
CasNumber:
206548-13-2
MolecularFormula:
C8H8BrNO2
MolecularWeight:
230.0586
MdlNumber:
MFCD05664860
Smiles:
Brc1cc(C)c(c(c1)C(=O)O)N
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)CC(c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
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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MdlNumber:
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Smiles:
OC(=O)CC(c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C
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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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][Re](=O)(=O)=O.[Ag+]
Complexity: __
Covalently-bondedUnitCount: __
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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MdlNumber:
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Smiles:
[O-][Re](=O)(=O)=O.[Ag+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(C#N)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(C#N)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__