AE40928
1393442-28-8 | tert-butyl N-[4-bromo-2-(trifluoromethyl)phenyl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AE40928
ChemicalName
tert-butyl N-[4-bromo-2-(trifluoromethyl)phenyl]carbamate
CasNumber
1393442-28-8
MolecularFormula
C12H13BrF3NO2
MolecularWeight
340.1363295999999
MdlNumber
MFCD21170461
Smiles
O=C(OC(C)(C)C)Nc1ccc(cc1C(F)(F)F)Br
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AE40928
ChemicalName: tert-butyl N-[4-bromo-2-(trifluoromethyl)phenyl]carbamate
CasNumber: 1393442-28-8
MolecularFormula: C12H13BrF3NO2
MolecularWeight: 340.1363295999999
MdlNumber: MFCD21170461
Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1C(F)(F)F)Br
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AE40928
ChemicalName:
tert-butyl N-[4-bromo-2-(trifluoromethyl)phenyl]carbamate
CasNumber:
1393442-28-8
MolecularFormula:
C12H13BrF3NO2
MolecularWeight:
340.1363295999999
MdlNumber:
MFCD21170461
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1C(F)(F)F)Br
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(CC1)COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N1CCC(CC1)COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE40930
ChemicalName: 2-(Ethoxycarbonylmethyl)phenylboronic acid, pinacol ester
CasNumber: 1228690-72-9
MolecularFormula: C16H23BO4
MolecularWeight: 290.1624
MdlNumber: MFCD08704680
Smiles: CCOC(=O)Cc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AE40930
ChemicalName:
2-(Ethoxycarbonylmethyl)phenylboronic acid, pinacol ester
CasNumber:
1228690-72-9
MolecularFormula:
C16H23BO4
MolecularWeight:
290.1624
MdlNumber:
MFCD08704680
Smiles:
CCOC(=O)Cc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__