AB44448
56970-78-6 | 3-Bromo-2-methylpropionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44448
ChemicalName
3-Bromo-2-methylpropionic acid
CasNumber
56970-78-6
MolecularFormula
C4H7BrO2
MolecularWeight
167.0012
MdlNumber
MFCD01310530
Smiles
CC(C(=O)O)CBr
NscNumber
201472
Complexity
72.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AB44448
ChemicalName: 3-Bromo-2-methylpropionic acid
CasNumber: 56970-78-6
MolecularFormula: C4H7BrO2
MolecularWeight: 167.0012
MdlNumber: MFCD01310530
Smiles: CC(C(=O)O)CBr
NscNumber: 201472
Complexity: 72.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AB44448
ChemicalName:
3-Bromo-2-methylpropionic acid
CasNumber:
56970-78-6
MolecularFormula:
C4H7BrO2
MolecularWeight:
167.0012
MdlNumber:
MFCD01310530
Smiles:
CC(C(=O)O)CBr
NscNumber:
201472
Complexity:
72.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: AB44449
ChemicalName: 3-Bromo-2-methylpyridine
CasNumber: 38749-79-0
MolecularFormula: C6H6BrN
MolecularWeight: 172.0225
MdlNumber: MFCD00191224
Smiles: Brc1cccnc1C
NscNumber: __
Complexity: 74.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AB44449
ChemicalName:
3-Bromo-2-methylpyridine
CasNumber:
38749-79-0
MolecularFormula:
C6H6BrN
MolecularWeight:
172.0225
MdlNumber:
MFCD00191224
Smiles:
Brc1cccnc1C
NscNumber:
__
Complexity:
74.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: AB44450
ChemicalName: 2-Bromo-4-cyanobenzyl bromide
CasNumber: 89892-39-7
MolecularFormula: C8H5Br2N
MolecularWeight: 274.94
MdlNumber: MFCD09261034
Smiles: N#Cc1ccc(c(c1)Br)CBr
NscNumber: 149637
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
AB44450
ChemicalName:
2-Bromo-4-cyanobenzyl bromide
CasNumber:
89892-39-7
MolecularFormula:
C8H5Br2N
MolecularWeight:
274.94
MdlNumber:
MFCD09261034
Smiles:
N#Cc1ccc(c(c1)Br)CBr
NscNumber:
149637
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.9
CatalogNumber: AB44451
ChemicalName: 3-Bromo-4,5-difluoroaniline
CasNumber: 875664-41-8
MolecularFormula: C6H4BrF2N
MolecularWeight: 208.0035
MdlNumber: MFCD08062370
Smiles: Nc1cc(F)c(c(c1)Br)F
NscNumber: __
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB44451
ChemicalName:
3-Bromo-4,5-difluoroaniline
CasNumber:
875664-41-8
MolecularFormula:
C6H4BrF2N
MolecularWeight:
208.0035
MdlNumber:
MFCD08062370
Smiles:
Nc1cc(F)c(c(c1)Br)F
NscNumber:
__
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1