AH12688
6567-35-7 | 3-Bromoisoxazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH12688
ChemicalName
3-Bromoisoxazole-5-carboxylic acid
CasNumber
6567-35-7
MolecularFormula
C4H2BrNO3
MolecularWeight
191.9676
MdlNumber
MFCD07368611
Smiles
OC(=O)c1cc(no1)Br
NscNumber
303797
Complexity
129
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AH12688
ChemicalName: 3-Bromoisoxazole-5-carboxylic acid
CasNumber: 6567-35-7
MolecularFormula: C4H2BrNO3
MolecularWeight: 191.9676
MdlNumber: MFCD07368611
Smiles: OC(=O)c1cc(no1)Br
NscNumber: 303797
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AH12688
ChemicalName:
3-Bromoisoxazole-5-carboxylic acid
CasNumber:
6567-35-7
MolecularFormula:
C4H2BrNO3
MolecularWeight:
191.9676
MdlNumber:
MFCD07368611
Smiles:
OC(=O)c1cc(no1)Br
NscNumber:
303797
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cccc(c1N1CCOCC1)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cccc(c1N1CCOCC1)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1)Cc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1)Cc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH12691
ChemicalName: 2-Bromo-1-iodo-4-methylbenzene
CasNumber: 71838-16-9
MolecularFormula: C7H6BrI
MolecularWeight: 296.931
MdlNumber: MFCD00079718
Smiles: Cc1ccc(c(c1)Br)I
NscNumber: __
Complexity: 94.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
AH12691
ChemicalName:
2-Bromo-1-iodo-4-methylbenzene
CasNumber:
71838-16-9
MolecularFormula:
C7H6BrI
MolecularWeight:
296.931
MdlNumber:
MFCD00079718
Smiles:
Cc1ccc(c(c1)Br)I
NscNumber:
__
Complexity:
94.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6