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Home > Aldehydes > 1367816-40-7
1367816-40-7 | 4-bromo-1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CAS No: 1367816-40-7 Catalog No: AG01BEK6 MDL No:MFCD22058061
Product Description
Catalog Number:
AG01BEK6
Chemical Name:
4-bromo-1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CAS Number:
1367816-40-7
Molecular Formula:
C6H7BrN2O
Molecular Weight:
203.0366
MDL Number:
MFCD22058061
IUPAC Name:
4-bromo-2,5-dimethylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H7BrN2O/c1-4-6(7)5(3-10)9(2)8-4/h3H,1-2H3
InChI Key:
RPUYPBVCDLSHRP-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)nc(c1Br)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.974g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.039g/mol
Monoisotopic Mass:
201.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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