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911799-84-3 | 2-Bromo-4-(methoxycarbonyl)benzoic acid
CAS No: 911799-84-3 Catalog No: AG01FOUI MDL No:
Product Description
Catalog Number:
AG01FOUI
Chemical Name:
2-Bromo-4-(methoxycarbonyl)benzoic acid
CAS Number:
911799-84-3
IUPAC Name:
2-bromo-4-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H7BrO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
InChI Key:
NVIVSQBLUICPCL-UHFFFAOYSA-N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.055g/mol
Monoisotopic Mass:
257.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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