AG79676
654056-82-3 | N-BOC-4-bromo-3-methylaniline
Manufacturer: A2B Chem
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CatalogNumber
AG79676
ChemicalName
N-BOC-4-bromo-3-methylaniline
CasNumber
654056-82-3
MolecularFormula
C12H16BrNO2
MolecularWeight
286.1649
MdlNumber
MFCD21170329
Smiles
O=C(OC(C)(C)C)Nc1ccc(c(c1)C)Br
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.2
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CatalogNumber: AG79676
ChemicalName: N-BOC-4-bromo-3-methylaniline
CasNumber: 654056-82-3
MolecularFormula: C12H16BrNO2
MolecularWeight: 286.1649
MdlNumber: MFCD21170329
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)C)Br
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AG79676
ChemicalName:
N-BOC-4-bromo-3-methylaniline
CasNumber:
654056-82-3
MolecularFormula:
C12H16BrNO2
MolecularWeight:
286.1649
MdlNumber:
MFCD21170329
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)C)Br
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.2
CatalogNumber: AG79677
ChemicalName: 5-Chloro-2-(methoxymethoxy)phenylboronic acid
CasNumber: 609352-56-9
MolecularFormula: C8H10BClO4
MolecularWeight: 216.4266
MdlNumber: MFCD11856012
Smiles: COCOc1ccc(cc1B(O)O)Cl
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AG79677
ChemicalName:
5-Chloro-2-(methoxymethoxy)phenylboronic acid
CasNumber:
609352-56-9
MolecularFormula:
C8H10BClO4
MolecularWeight:
216.4266
MdlNumber:
MFCD11856012
Smiles:
COCOc1ccc(cc1B(O)O)Cl
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNC(=O)CN
Complexity: 62.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNC(=O)CN
Complexity:
62.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1
CatalogNumber: AG79679
ChemicalName: 4'-Cyano-4-fluoro-3-(trifluoromethyl)biphenyl
CasNumber: 582293-64-9
MolecularFormula: C14H7F4N
MolecularWeight: 265.2057
MdlNumber: MFCD08457044
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AG79679
ChemicalName:
4'-Cyano-4-fluoro-3-(trifluoromethyl)biphenyl
CasNumber:
582293-64-9
MolecularFormula:
C14H7F4N
MolecularWeight:
265.2057
MdlNumber:
MFCD08457044
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.3