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37777-74-5 | 2-(2-Bromo-6-nitrophenyl)acetic acid
CAS No: 37777-74-5 Catalog No: AG003EQZ MDL No:MFCD10566470
Product Description
Catalog Number:
AG003EQZ
Chemical Name:
2-(2-Bromo-6-nitrophenyl)acetic acid
CAS Number:
37777-74-5
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD10566470
IUPAC Name:
2-(2-bromo-6-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H6BrNO4/c9-6-2-1-3-7(10(13)14)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
LOWAAWMXRXSOPA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(Br)cccc1[N+](=O)[O-]
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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