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1215206-51-1 | Carbamic acid, N-(4-bromo-1-naphthalenyl)-, phenylmethyl ester
CAS No: 1215206-51-1 Catalog No: AG00157S MDL No:MFCD13195700
Product Description
Catalog Number:
AG00157S
Chemical Name:
Carbamic acid, N-(4-bromo-1-naphthalenyl)-, phenylmethyl ester
CAS Number:
1215206-51-1
Molecular Formula:
C18H14BrNO2
Molecular Weight:
356.2133
MDL Number:
MFCD13195700
IUPAC Name:
benzyl N-(4-bromonaphthalen-1-yl)carbamate
InChI:
InChI=1S/C18H14BrNO2/c19-16-10-11-17(15-9-5-4-8-14(15)16)20-18(21)22-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
InChI Key:
YTEZGWHQCCNKET-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c2c1cccc2)Br)OCc1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.021g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.219g/mol
Monoisotopic Mass:
355.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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