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119405-32-2 | 2-Propenoic acid, 3-(3-bromo-4-hydroxyphenyl)-
CAS No: 119405-32-2 Catalog No: AG000IQB MDL No:
Product Description
Catalog Number:
AG000IQB
Chemical Name:
2-Propenoic acid, 3-(3-bromo-4-hydroxyphenyl)-
CAS Number:
119405-32-2
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
IUPAC Name:
3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H7BrO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)
InChI Key:
HOZXBZABAJSGDX-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(c(c1)Br)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.056g/mol
Monoisotopic Mass:
241.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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