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101682-68-2 | Benzaldehyde, 3-bromo-4-nitro-
CAS No: 101682-68-2 Catalog No: AG000572 MDL No:MFCD00968939
Product Description
Catalog Number:
AG000572
Chemical Name:
Benzaldehyde, 3-bromo-4-nitro-
CAS Number:
101682-68-2
Molecular Formula:
C7H4BrNO3
Molecular Weight:
230.0156
MDL Number:
MFCD00968939
IUPAC Name:
3-bromo-4-nitrobenzaldehyde
InChI:
InChI=1S/C7H4BrNO3/c8-6-3-5(4-10)1-2-7(6)9(11)12/h1-4H
InChI Key:
ZVNHPTMSLSAAET-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)[N+](=O)[O-]
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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