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Home > Aldehydes > 861932-08-3
861932-08-3 | 3-Bromo-4-(1H-imidazol-1-yl);benzaldehyde
CAS No: 861932-08-3 Catalog No: AG003J0Z MDL No:MFCD11656797
Product Description
Catalog Number:
AG003J0Z
Chemical Name:
3-Bromo-4-(1H-imidazol-1-yl);benzaldehyde
CAS Number:
861932-08-3
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
MDL Number:
MFCD11656797
IUPAC Name:
3-bromo-4-imidazol-1-ylbenzaldehyde
InChI:
InChI=1S/C10H7BrN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-7H
InChI Key:
MWRSHCXIXJNGGF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)n1cncc1
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:
1.8
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