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885269-93-2 | tert-Butyl (4-acetyl-2-bromophenyl)carbamate
CAS No: 885269-93-2 Catalog No: AG00474C MDL No:MFCD07371474
Product Description
Catalog Number:
AG00474C
Chemical Name:
tert-Butyl (4-acetyl-2-bromophenyl)carbamate
CAS Number:
885269-93-2
Molecular Formula:
C13H16BrNO3
Molecular Weight:
314.1750
MDL Number:
MFCD07371474
IUPAC Name:
tert-butyl N-(4-acetyl-2-bromophenyl)carbamate
InChI:
InChI=1S/C13H16BrNO3/c1-8(16)9-5-6-11(10(14)7-9)15-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,15,17)
InChI Key:
OGRMZMLEIGRKOH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1Br)C(=O)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.179g/mol
Monoisotopic Mass:
313.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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