AG003SFD

25216-74-4 | N-(tert-Butoxycarbonyl)-3-bromoaniline

AG003SFD

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CAS Number	25216-74-4
Catalog Number	AG003SFD(AGN-PC-0KKLMY)
Chemical Name	N-(tert-Butoxycarbonyl)-3-bromoaniline
IUPAC Name	tert-butyl N-(3-bromophenyl)carbamate
InChI	InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChI Key	VDFBCTSISJDKNW-UHFFFAOYSA-N
MDL Number	MFCD01006618
Molecular Formula	C11H14BrNO2
Molecular Weight	272.1384
SMILES	C(C)(C)(C)OC(=O)NC1=CC(=CC=C1)Br
Synonyms	tert-butyl N-(3-bromophenyl)carbamate, 25216-74-4, N-(tert-Butoxycarbonyl)-3-bromoaniline, tert-butyl 3-bromophenylcarbamate, tert-Butyl (3-bromophenyl)carbamate, n-tert-butoxycarbonyl-3-bromoaniline, N-Boc 3-bromoaniline, AC1MBVFZ, ACMC-1CHX3, SCHEMBL1400198, CTK7G9138, DTXSID10373792, VDFBCTSISJDKNW-UHFFFAOYSA-N, ZINC403468, 3-Bromo-N-tert-butoxycarbonylaniline, MFCD01006618, 3-Bromo-N-tert-butoxycarbonyl aniline, AKOS003554161, MCULE-4860556586, AJ-22112, ZB013240, (tert-butoxy)-N-(3-bromophenyl)carboxamide, TC-165957, AM20040026, N-(tert-Butoxycarbonyl)-3-bromoaniline 97%, ST51042129, 3-bromo-phenyl-carbamic acid tert-butyl ester, N-(tert-Butoxycarbonyl)-3-bromoaniline, 97%, (3-bromo-phenyl)-carbamic acid tert-butyl ester, N-(3-bromophenyl)carbamic acid tert-butyl ester, A817711, J-015875, Carbamic acid, (3-bromophenyl)-, 1,1-dimethylethyl ester, ZINC00403468, CID2757254,

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	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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