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114774-75-3 | 2-Propenoic acid, 2-bromo-, 4-nitrophenyl ester
CAS No: 114774-75-3 Catalog No: AG000F6Q MDL No:
Product Description
Catalog Number:
AG000F6Q
Chemical Name:
2-Propenoic acid, 2-bromo-, 4-nitrophenyl ester
CAS Number:
114774-75-3
Molecular Formula:
C9H6BrNO4
Molecular Weight:
272.0522
IUPAC Name:
(4-nitrophenyl) 2-bromoprop-2-enoate
InChI:
InChI=1S/C9H6BrNO4/c1-6(10)9(12)15-8-4-2-7(3-5-8)11(13)14/h2-5H,1H2
InChI Key:
ZQDAHADZDOLUAP-UHFFFAOYSA-N
SMILES:
O=C(C(=C)Br)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.054g/mol
Monoisotopic Mass:
270.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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