AA87785
161796-10-7 | 3-Bromo-5-(methoxycarbonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA87785
ChemicalName
3-Bromo-5-(methoxycarbonyl)benzoic acid
CasNumber
161796-10-7
MolecularFormula
C9H7BrO4
MolecularWeight
259.0535
MdlNumber
MFCD06797598
Smiles
COC(=O)c1cc(Br)cc(c1)C(=O)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA87785
ChemicalName: 3-Bromo-5-(methoxycarbonyl)benzoic acid
CasNumber: 161796-10-7
MolecularFormula: C9H7BrO4
MolecularWeight: 259.0535
MdlNumber: MFCD06797598
Smiles: COC(=O)c1cc(Br)cc(c1)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA87785
ChemicalName:
3-Bromo-5-(methoxycarbonyl)benzoic acid
CasNumber:
161796-10-7
MolecularFormula:
C9H7BrO4
MolecularWeight:
259.0535
MdlNumber:
MFCD06797598
Smiles:
COC(=O)c1cc(Br)cc(c1)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AA87786
ChemicalName: 2,3,4-Trifluorobenzaldehyde
CasNumber: 161793-17-5
MolecularFormula: C7H3F3O
MolecularWeight: 160.0933
MdlNumber: MFCD00061230
Smiles: O=Cc1ccc(c(c1F)F)F
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AA87786
ChemicalName:
2,3,4-Trifluorobenzaldehyde
CasNumber:
161793-17-5
MolecularFormula:
C7H3F3O
MolecularWeight:
160.0933
MdlNumber:
MFCD00061230
Smiles:
O=Cc1ccc(c(c1F)F)F
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(o1)c1n[nH]c(n1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(o1)c1n[nH]c(n1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(C(=O)O)Oc1ccccc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(C(=O)O)Oc1ccccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__