| CAS Number | 885523-35-3 |
| Catalog Number | AG00GZSD(AGN-PC-0WAN5T) |
| Chemical Name | 7-BROMO INDOLE-5-CARBOXYLIC ACID METHYL ESTER |
| IUPAC Name | methyl 7-bromo-1H-indole-5-carboxylate |
| InChI | InChI=1S/C10H8BrNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h2-5,12H,1H3 |
| InChI Key | IVZPRTUZPQFXKG-UHFFFAOYSA-N |
| MDL Number | MFCD08062510 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.0800 |
| SMILES | O=C(C1=CC2=C(NC=C2)C(Br)=C1)OC |
| Synonyms | Methyl 7-bromo-1H-indole-5-carboxylate,
885523-35-3,
7-Bromo indole-5-carboxylic acid methyl ester,
Methyl 7-bromoindole-5-carboxyate,
SCHEMBL255939,
KS-00000RTN,
DTXSID20646525,
IVZPRTUZPQFXKG-UHFFFAOYSA-N,
CM-568,
MFCD08062510,
ZINC14984795,
AKOS022173150,
CS-W022883,
DS-7200,
MCULE-6935494971,
QC-8101,
AJ-66224,
AK141062,
7-Bromoindole-5-carboxylic acid methyl ester,
W-3392,
Z1744713466,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.083g/mol |
| Monoisotopic Mass | 252.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number