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77232-38-3

77232-38-3 | 4-(Pyrimidin-2-yl);benzaldehyde

CAS No: 77232-38-3 Catalog No: AG005D58 MDL No:MFCD08056282

Product Description

Catalog Number:
AG005D58
Chemical Name:
4-(Pyrimidin-2-yl);benzaldehyde
CAS Number:
77232-38-3
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD08056282
IUPAC Name:
4-pyrimidin-2-ylbenzaldehyde
InChI:
InChI=1S/C11H8N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-8H
InChI Key:
JUYLMPWKVWDXBE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ncccn1

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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