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174906-76-4 | 2-Propenoic acid, 2-bromo-3-(4-nitrophenyl)-, ethyl ester, (2Z)-
CAS No: 174906-76-4 Catalog No: AG002025 MDL No:
Product Description
Catalog Number:
AG002025
Chemical Name:
2-Propenoic acid, 2-bromo-3-(4-nitrophenyl)-, ethyl ester, (2Z)-
CAS Number:
174906-76-4
Molecular Formula:
C11H10BrNO4
Molecular Weight:
300.1054
IUPAC Name:
ethyl 2-bromo-3-(4-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C11H10BrNO4/c1-2-17-11(14)10(12)7-8-3-5-9(6-4-8)13(15)16/h3-7H,2H2,1H3
InChI Key:
PTBCCMHYVZCPKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1ccc(cc1)[N+](=O)[O-])/Br
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.979g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.108g/mol
Monoisotopic Mass:
298.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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