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944902-05-0

944902-05-0 | 5-Bromopyrimidine-2-carbaldehyde

CAS No: 944902-05-0 Catalog No: AG0038IR MDL No:MFCD10697139

Product Description

Catalog Number:
AG0038IR
Chemical Name:
5-Bromopyrimidine-2-carbaldehyde
CAS Number:
944902-05-0
Molecular Formula:
C5H3BrN2O
Molecular Weight:
186.9941
MDL Number:
MFCD10697139
IUPAC Name:
5-bromopyrimidine-2-carbaldehyde
InChI:
InChI=1S/C5H3BrN2O/c6-4-1-7-5(3-9)8-2-4/h1-3H
InChI Key:
DCUNSYBCDXVLGH-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(cn1)Br

Properties

Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.943g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.996g/mol
Monoisotopic Mass:
185.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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