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131818-17-2 | Carbamic acid, N-(4-bromophenyl)-, 1,1-dimethylethyl ester
CAS No: 131818-17-2 Catalog No: AG000ZS2 MDL No:MFCD01006612
Product Description
Catalog Number:
AG000ZS2
Chemical Name:
Carbamic acid, N-(4-bromophenyl)-, 1,1-dimethylethyl ester
CAS Number:
131818-17-2
Molecular Formula:
C11H14BrNO2
Molecular Weight:
272.1384
MDL Number:
MFCD01006612
IUPAC Name:
tert-butyl N-(4-bromophenyl)carbamate
InChI:
InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChI Key:
VLGPDTPSKUUHKR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
217
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:
3.7
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