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1456863-37-8 | 2-Bromo-pyrimidine-5-carbaldehyde
CAS No: 1456863-37-8 Catalog No: AG00ANP0 MDL No:MFCD25371819
Product Description
Catalog Number:
AG00ANP0
Chemical Name:
2-Bromo-pyrimidine-5-carbaldehyde
CAS Number:
1456863-37-8
Molecular Formula:
C5H3BrN2O
Molecular Weight:
186.9941
MDL Number:
MFCD25371819
IUPAC Name:
2-bromopyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H3BrN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H
InChI Key:
SYXSPPBOICULFV-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)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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