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1186663-53-5 | 3-Bromo-4-(1H-pyrazol-1-yl);benzaldehyde
CAS No: 1186663-53-5 Catalog No: AG003J10 MDL No:MFCD11656798
Product Description
Catalog Number:
AG003J10
Chemical Name:
3-Bromo-4-(1H-pyrazol-1-yl);benzaldehyde
CAS Number:
1186663-53-5
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
MDL Number:
MFCD11656798
IUPAC Name:
3-bromo-4-pyrazol-1-ylbenzaldehyde
InChI:
InChI=1S/C10H7BrN2O/c11-9-6-8(7-14)2-3-10(9)13-5-1-4-12-13/h1-7H
InChI Key:
FMIRAGCHJMGIFJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)n1cccn1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.083g/mol
Monoisotopic Mass:
249.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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