AI38049
1628507-89-0 | 1-[4-(Dihydroxyboranyl)-3-methylphenyl]cyclopropane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI38049
ChemicalName
1-[4-(Dihydroxyboranyl)-3-methylphenyl]cyclopropane-1-carboxylic acid
CasNumber
1628507-89-0
MolecularFormula
C11H13BO4
MolecularWeight
220.0295
MdlNumber
MFCD21609531
Smiles
OC(=O)C1(CC1)c1ccc(c(c1)C)B(O)O
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AI38049
ChemicalName: 1-[4-(Dihydroxyboranyl)-3-methylphenyl]cyclopropane-1-carboxylic acid
CasNumber: 1628507-89-0
MolecularFormula: C11H13BO4
MolecularWeight: 220.0295
MdlNumber: MFCD21609531
Smiles: OC(=O)C1(CC1)c1ccc(c(c1)C)B(O)O
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AI38049
ChemicalName:
1-[4-(Dihydroxyboranyl)-3-methylphenyl]cyclopropane-1-carboxylic acid
CasNumber:
1628507-89-0
MolecularFormula:
C11H13BO4
MolecularWeight:
220.0295
MdlNumber:
MFCD21609531
Smiles:
OC(=O)C1(CC1)c1ccc(c(c1)C)B(O)O
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Brc1ccc(c(c1C)F)Cl
Complexity: 120
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Brc1ccc(c(c1C)F)Cl
Complexity:
120
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: COC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)F)Cc1ccccc1
Complexity: 389
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)F)Cc1ccccc1
Complexity:
389
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: O/N=C(/c1ccc(cc1[N+](=O)[O-])Br)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O/N=C(/c1ccc(cc1[N+](=O)[O-])Br)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__