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20357-30-6 | 2-Propenoic acid, 3-(4-bromo-2-nitrophenyl)-
CAS No: 20357-30-6 Catalog No: AG0028ZL MDL No:MFCD08061925
Product Description
Catalog Number:
AG0028ZL
Chemical Name:
2-Propenoic acid, 3-(4-bromo-2-nitrophenyl)-
CAS Number:
20357-30-6
Molecular Formula:
C9H6BrNO4
Molecular Weight:
272.0522
MDL Number:
MFCD08061925
IUPAC Name:
(E)-3-(4-bromo-2-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6BrNO4/c10-7-3-1-6(2-4-9(12)13)8(5-7)11(14)15/h1-5H,(H,12,13)/b4-2+
InChI Key:
KPPLDWZFIDADCX-DUXPYHPUSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1[N+](=O)[O-])Br
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:
2.4
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