AG71296
62176-31-2 | 2-Benzyloxy-5-bromobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71296
ChemicalName
2-Benzyloxy-5-bromobenzoic acid
CasNumber
62176-31-2
MolecularFormula
C14H11BrO3
MolecularWeight
307.1393
MdlNumber
MFCD04612889
Smiles
Brc1ccc(c(c1)C(=O)O)OCc1ccccc1
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AG71296
ChemicalName: 2-Benzyloxy-5-bromobenzoic acid
CasNumber: 62176-31-2
MolecularFormula: C14H11BrO3
MolecularWeight: 307.1393
MdlNumber: MFCD04612889
Smiles: Brc1ccc(c(c1)C(=O)O)OCc1ccccc1
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AG71296
ChemicalName:
2-Benzyloxy-5-bromobenzoic acid
CasNumber:
62176-31-2
MolecularFormula:
C14H11BrO3
MolecularWeight:
307.1393
MdlNumber:
MFCD04612889
Smiles:
Brc1ccc(c(c1)C(=O)O)OCc1ccccc1
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.6
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Smiles: CCCCN1CCNCC1=O
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCN1CCNCC1=O
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Smiles: [O-][N+](=O)c1c(Br)cc(c(c1Br)N)Br
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Smiles:
[O-][N+](=O)c1c(Br)cc(c(c1Br)N)Br
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: O=C(c1ccc(cc1)C(C)(C)C)N1CCC(CC1)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
__
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Smiles:
O=C(c1ccc(cc1)C(C)(C)C)N1CCC(CC1)C(=O)O
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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Xlogp3:
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