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199273-16-0 | Carbamic acid, (4-bromo-2-formylphenyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 199273-16-0 Catalog No: AG002C00 MDL No:MFCD11617307
Product Description
Catalog Number:
AG002C00
Chemical Name:
Carbamic acid, (4-bromo-2-formylphenyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
199273-16-0
Molecular Formula:
C12H14BrNO3
Molecular Weight:
300.1485
MDL Number:
MFCD11617307
IUPAC Name:
tert-butyl N-(4-bromo-2-formylphenyl)carbamate
InChI:
InChI=1S/C12H14BrNO3/c1-12(2,3)17-11(16)14-10-5-4-9(13)6-8(10)7-15/h4-7H,1-3H3,(H,14,16)
InChI Key:
BEFGBAVTKUUICF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1NC(=O)OC(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.152g/mol
Monoisotopic Mass:
299.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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