AC70470
706791-83-5 | Methyl 3-amino-5-bromobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC70470
ChemicalName
Methyl 3-amino-5-bromobenzoate
CasNumber
706791-83-5
MolecularFormula
C8H8BrNO2
MolecularWeight
230.05862
MdlNumber
MFCD07786958
Smiles
COC(=O)c1cc(N)cc(c1)Br
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AC70470
ChemicalName: Methyl 3-amino-5-bromobenzoate
CasNumber: 706791-83-5
MolecularFormula: C8H8BrNO2
MolecularWeight: 230.05862
MdlNumber: MFCD07786958
Smiles: COC(=O)c1cc(N)cc(c1)Br
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AC70470
ChemicalName:
Methyl 3-amino-5-bromobenzoate
CasNumber:
706791-83-5
MolecularFormula:
C8H8BrNO2
MolecularWeight:
230.05862
MdlNumber:
MFCD07786958
Smiles:
COC(=O)c1cc(N)cc(c1)Br
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AC70471
ChemicalName: 2-Chlorooxazole-4-carboxylic acid
CasNumber: 706789-07-3
MolecularFormula: C4H2ClNO3
MolecularWeight: 147.5166
MdlNumber: MFCD11040385
Smiles: OC(=O)c1coc(n1)Cl
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AC70471
ChemicalName:
2-Chlorooxazole-4-carboxylic acid
CasNumber:
706789-07-3
MolecularFormula:
C4H2ClNO3
MolecularWeight:
147.5166
MdlNumber:
MFCD11040385
Smiles:
OC(=O)c1coc(n1)Cl
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
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Smiles: CCC(C(C)(C)C)(C)C
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Smiles:
CCC(C(C)(C)C)(C)C
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1c(Cl)nc(nc1Cl)C(F)(F)F
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Smiles:
[O-][N+](=O)c1c(Cl)nc(nc1Cl)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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