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5551-12-2

5551-12-2 | 4-Bromo-2-Nitrobenzaldehyde

CAS No: 5551-12-2 Catalog No: AG0033XQ MDL No:MFCD00463687

Product Description

Catalog Number:
AG0033XQ
Chemical Name:
4-Bromo-2-Nitrobenzaldehyde
CAS Number:
5551-12-2
Molecular Formula:
C7H4BrNO3
Molecular Weight:
230.0156
MDL Number:
MFCD00463687
IUPAC Name:
4-bromo-2-nitrobenzaldehyde
InChI:
InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
InChI Key:
GSXUXSXBEUJRAJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1N(=O)=O)Br

Properties

Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.937g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.017g/mol
Monoisotopic Mass:
228.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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