| CAS Number | 1016741-73-3 |
| Catalog Number | AG00056B(AGN-PC-0WA4H4) |
| Chemical Name | 1-Bromo-4-fluoro-3-(isopropylaminomethyl)benzene |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine |
| InChI | InChI=1S/C10H13BrFN/c1-7(2)13-6-8-5-9(11)3-4-10(8)12/h3-5,7,13H,6H2,1-2H3 |
| InChI Key | IXXUYKRGUZVACR-UHFFFAOYSA-N |
| MDL Number | MFCD09810839 |
| Molecular Formula | C10H13BrFN |
| Molecular Weight | 246.1193 |
| SMILES | CC(NCC1=C(F)C=CC(Br)=C1)C |
| Synonyms | 1016741-73-3,
1-Bromo-4-fluoro-3-(isopropylaminomethyl)benzene,
[(5-bromo-2-fluorophenyl)methyl](propan-2-yl)amine,
ACMC-2097wa,
AC1Q1QC5,
CTK8A9004,
DTXSID90602673,
ANW-14504,
MFCD09810839,
ZINC19278018,
AKOS000155297,
MCULE-9360176639,
NE14494,
TC-103249,
Z6376,
EN300-32156,
N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine,
Z86130026,
Benzenemethanamine, 5-bromo-2-fluoro-N-(1-methylethyl)-,
C10H13BrFN,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.123g/mol |
| Monoisotopic Mass | 245.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number