| CAS Number | 66949-40-4 |
| Catalog Number | AG006NDP(AGN-PC-0WAIIE) |
| Chemical Name | 2-Bromo-4-nitrophenylacetic acid |
| IUPAC Name | 2-(2-bromo-4-nitrophenyl)acetic acid |
| InChI | InChI=1S/C8H6BrNO4/c9-7-4-6(10(13)14)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12) |
| InChI Key | SWLSHEHNEIUTLA-UHFFFAOYSA-N |
| MDL Number | MFCD06797946 |
| Molecular Formula | C8H6BrNO4 |
| Molecular Weight | 260.0415 |
| SMILES | OC(CC1=C(Br)C=C([N+]([O-])=O)C=C1)=O |
| Synonyms | 2-(2-bromo-4-nitrophenyl)acetic acid,
66949-40-4,
(2-bromo-4-nitrophenyl)acetic acid,
SCHEMBL2728372,
CTK5C5435,
DTXSID30496654,
SWLSHEHNEIUTLA-UHFFFAOYSA-N,
5183AJ,
ZINC37460585,
AKOS010007675,
Benzeneacetic acid, 2-bromo-4-nitro-,
MCULE-4609863622,
NE30952,
2-BROMO-4-NITROPHENYLACETIC ACID,
DA-04457,
SY030686,
FT-0743972,
MFCD06797946 (95%),
Z1816233740,
C8H6BrNO4,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number