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171663-13-1 | tert-Butyl 3-bromobenzylcarbamate
CAS No: 171663-13-1 Catalog No: AG003D2G MDL No:MFCD08703139
Product Description
Catalog Number:
AG003D2G
Chemical Name:
tert-Butyl 3-bromobenzylcarbamate
CAS Number:
171663-13-1
Molecular Formula:
C12H16BrNO2
Molecular Weight:
286.1649
MDL Number:
MFCD08703139
IUPAC Name:
tert-butyl N-[(3-bromophenyl)methyl]carbamate
InChI:
InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3,(H,14,15)
InChI Key:
BSEVOUCZQOLENZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cccc(c1)Br
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.169g/mol
Monoisotopic Mass:
285.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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