| CAS Number | 1241894-37-0 |
| Catalog Number | AG000LMM(AGN-PC-0WNOGW) |
| Chemical Name | Benzenemethanol, 5-bromo-2-nitro- |
| IUPAC Name | (5-bromo-2-nitrophenyl)methanol |
| InChI | InChI=1S/C7H6BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2 |
| InChI Key | UGQKJJIHTCXFJT-UHFFFAOYSA-N |
| MDL Number | MFCD11848688 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | OCC1=CC(Br)=CC=C1[N+]([O-])=O |
| Synonyms | (5-BROMO-2-NITROPHENYL)METHANOL,
1241894-37-0,
5-Bromo-2-nitrobenzyl alcohol,
SCHEMBL16951743,
Benzenemethanol, 5-bromo-2-nitro-,
MFCD11848688,
ZINC95496026,
AKOS017561258,
PS-10575,
SC-36576,
CS-0060201,
Z8745,
C7H6BrNO3,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.033g/mol |
| Monoisotopic Mass | 230.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number