| CAS Number | 359867-42-8 |
| Catalog Number | AG00CKY6(AGN-PC-0447JC) |
| Chemical Name | 3-Amino-4-bromobenzaldehyde, tech grade |
| IUPAC Name | 3-amino-4-bromobenzaldehyde |
| InChI | InChI=1S/C7H6BrNO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H,9H2 |
| InChI Key | NEMFHQCQKJUENY-UHFFFAOYSA-N |
| MDL Number | MFCD11858306 |
| Molecular Formula | C7H6BrNO |
| Molecular Weight | 200.0326 |
| SMILES | O=Cc1ccc(c(c1)N)Br |
| Synonyms | 3-Amino-4-bromobenzaldehyde,
359867-42-8,
3-AMINO-4-BROMO-BENZALDEHYDE,
Benzaldehyde, 3-amino-4-bromo-,
SCHEMBL2278898,
DTXSID70634497,
NEMFHQCQKJUENY-UHFFFAOYSA-N,
MFCD11858306,
ZINC82383450,
FCH1375034,
3-Amino-4-bromobenzaldehyde, tech grade,
ACM359867428,
AJ-125240,
DB-069292,
FT-0718826,
V5484,
Z-5724,
C7H6BrNO,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.035g/mol |
| Monoisotopic Mass | 198.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number