AB56705
887577-30-2 | 1-Hydroxycyclopropylmethyl carbamic acid t-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB56705
ChemicalName
1-Hydroxycyclopropylmethyl carbamic acid t-butyl ester
CasNumber
887577-30-2
MolecularFormula
C9H17NO3
MolecularWeight
187.23618000000002
MdlNumber
MFCD07367844
Smiles
O=C(OC(C)(C)C)NCC1(O)CC1
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AB56705
ChemicalName: 1-Hydroxycyclopropylmethyl carbamic acid t-butyl ester
CasNumber: 887577-30-2
MolecularFormula: C9H17NO3
MolecularWeight: 187.23618000000002
MdlNumber: MFCD07367844
Smiles: O=C(OC(C)(C)C)NCC1(O)CC1
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB56705
ChemicalName:
1-Hydroxycyclopropylmethyl carbamic acid t-butyl ester
CasNumber:
887577-30-2
MolecularFormula:
C9H17NO3
MolecularWeight:
187.23618000000002
MdlNumber:
MFCD07367844
Smiles:
O=C(OC(C)(C)C)NCC1(O)CC1
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: AB56706
ChemicalName: 2-Bromo-1-(pyren-1-yl)ethanone
CasNumber: 80480-15-5
MolecularFormula: C18H11BrO
MolecularWeight: 323.1833
MdlNumber: MFCD00191839
Smiles: BrCC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Complexity: 393
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 5.5
CatalogNumber:
AB56706
ChemicalName:
2-Bromo-1-(pyren-1-yl)ethanone
CasNumber:
80480-15-5
MolecularFormula:
C18H11BrO
MolecularWeight:
323.1833
MdlNumber:
MFCD00191839
Smiles:
BrCC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Complexity:
393
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
5.5
CatalogNumber: AB56707
ChemicalName: 2,3-Dichlorobenzyl bromide
CasNumber: 57915-78-3
MolecularFormula: C7H5BrCl2
MolecularWeight: 239.9246
MdlNumber: MFCD03701317
Smiles: BrCc1cccc(c1Cl)Cl
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AB56707
ChemicalName:
2,3-Dichlorobenzyl bromide
CasNumber:
57915-78-3
MolecularFormula:
C7H5BrCl2
MolecularWeight:
239.9246
MdlNumber:
MFCD03701317
Smiles:
BrCc1cccc(c1Cl)Cl
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1cccc(c1)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1cccc(c1)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__