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Home > Bromides > 1262013-78-4
1262013-78-4 | 2-Bromo-5-nitrocinnamic acid
CAS No: 1262013-78-4 Catalog No: AG01FF9Y MDL No:
Product Description
Catalog Number:
AG01FF9Y
Chemical Name:
2-Bromo-5-nitrocinnamic acid
CAS Number:
1262013-78-4
Molecular Formula:
C9H6BrNO4
Molecular Weight:
272.0522
IUPAC Name:
(E)-3-(2-bromo-5-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6BrNO4/c10-8-3-2-7(11(14)15)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key:
NDYQJOUGAVQEQR-DAFODLJHSA-N
SMILES:
OC(=O)/C=C/c1cc(ccc1Br)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
270.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.054g/mol
Monoisotopic Mass:
270.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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