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1174064-63-1 | Benzaldehyde, 4-(4-bromo-1H-pyrazol-1-yl)-
CAS No: 1174064-63-1 Catalog No: AG000E8T MDL No:MFCD12756238
Product Description
Catalog Number:
AG000E8T
Chemical Name:
Benzaldehyde, 4-(4-bromo-1H-pyrazol-1-yl)-
CAS Number:
1174064-63-1
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
MDL Number:
MFCD12756238
IUPAC Name:
4-(4-bromopyrazol-1-yl)benzaldehyde
InChI:
InChI=1S/C10H7BrN2O/c11-9-5-12-13(6-9)10-3-1-8(7-14)2-4-10/h1-7H
InChI Key:
WRORMQDKQSKVFB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1ncc(c1)Br
Properties
Complexity:
204
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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