AB77101
96551-22-3 | 3-Hydroxymethylindole-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB77101
ChemicalName
3-Hydroxymethylindole-1-carboxylic acid tert-butyl ester
CasNumber
96551-22-3
MolecularFormula
C14H17NO3
MolecularWeight
247.2897
MdlNumber
MFCD05864717
Smiles
OCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AB77101
ChemicalName: 3-Hydroxymethylindole-1-carboxylic acid tert-butyl ester
CasNumber: 96551-22-3
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD05864717
Smiles: OCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AB77101
ChemicalName:
3-Hydroxymethylindole-1-carboxylic acid tert-butyl ester
CasNumber:
96551-22-3
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD05864717
Smiles:
OCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: AB77102
ChemicalName: tert-Butyl 3-hydroxypropylmethylcarbamate
CasNumber: 98642-44-5
MolecularFormula: C9H19NO3
MolecularWeight: 189.25206000000003
MdlNumber: MFCD09751790
Smiles: OCCCN(C(=O)OC(C)(C)C)C
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.8
CatalogNumber:
AB77102
ChemicalName:
tert-Butyl 3-hydroxypropylmethylcarbamate
CasNumber:
98642-44-5
MolecularFormula:
C9H19NO3
MolecularWeight:
189.25206000000003
MdlNumber:
MFCD09751790
Smiles:
OCCCN(C(=O)OC(C)(C)C)C
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.8
CatalogNumber: AB77103
ChemicalName: N-Boc-3-bromo-4-fluoroaniline
CasNumber: 836619-77-3
MolecularFormula: C11H13BrFNO2
MolecularWeight: 290.1288
MdlNumber: MFCD11975628
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)Br)F
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AB77103
ChemicalName:
N-Boc-3-bromo-4-fluoroaniline
CasNumber:
836619-77-3
MolecularFormula:
C11H13BrFNO2
MolecularWeight:
290.1288
MdlNumber:
MFCD11975628
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)Br)F
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: AB77104
ChemicalName: 1-Boc-3-bromomethylpiperidine
CasNumber: 193629-39-9
MolecularFormula: C11H20BrNO2
MolecularWeight: 278.186
MdlNumber: MFCD04115539
Smiles: BrCC1CCCN(C1)C(=O)OC(C)(C)C
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB77104
ChemicalName:
1-Boc-3-bromomethylpiperidine
CasNumber:
193629-39-9
MolecularFormula:
C11H20BrNO2
MolecularWeight:
278.186
MdlNumber:
MFCD04115539
Smiles:
BrCC1CCCN(C1)C(=O)OC(C)(C)C
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.6