AG0097HU

1160247-93-7 | 5'-Bromospiro[cyclopentane-1,3'-indoline]

AG0097HU

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CAS Number	1160247-93-7
Catalog Number	AG0097HU(AGN-PC-0WOAKE)
Chemical Name	5'-Bromospiro[cyclopentane-1,3'-indoline]
IUPAC Name	5-bromospiro[1,2-dihydroindole-3,1'-cyclopentane]
InChI	InChI=1S/C12H14BrN/c13-9-3-4-11-10(7-9)12(8-14-11)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2
InChI Key	XAIVBUKCMJRNHM-UHFFFAOYSA-N
MDL Number	MFCD12198648
Molecular Formula	C12H14BrN
Molecular Weight	252.1503
SMILES	BrC=1C=C2C3(CNC2=CC1)CCCC3
Synonyms	5'-Bromospiro[cyclopentane-1,3'-indoline], 1160247-93-7, 5'-bromo-1',2'-dihydrospiro[cyclopentane-1,3'-indole], SCHEMBL16566105, MFCD12198648, ZINC68593507, AKOS023568329, MCULE-8326603808, AM805546, CS-0038803, EN300-79342, 5-Bromo-1,2-Dihydrospiro[Cyclopentane-1,3-Indole],

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.031g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.155g/mol
Monoisotopic Mass	251.031g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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