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78839-75-5 | tert-Butyl (2-bromophenyl);carbamate
CAS No: 78839-75-5 Catalog No: AG003SFC MDL No:MFCD01006614
Product Description
Catalog Number:
AG003SFC
Chemical Name:
tert-Butyl (2-bromophenyl);carbamate
CAS Number:
78839-75-5
Molecular Formula:
C11H14BrNO2
Molecular Weight:
272.1384
MDL Number:
MFCD01006614
IUPAC Name:
tert-butyl N-(2-bromophenyl)carbamate
InChI:
InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
InChI Key:
UQBGKDLSIIHUEZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccccc1Br
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.142g/mol
Monoisotopic Mass:
271.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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