AG003BHR

10293-06-8 | (1R-endo)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

AG003BHR

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CAS Number	10293-06-8
Catalog Number	AG003BHR(AGN-PC-0NVHQA)
Chemical Name	(1R-endo)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
IUPAC Name	(1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI	InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1
InChI Key	NJQADTYRAYFBJN-FWWHASMVSA-N
MDL Number	MFCD00003744
Molecular Formula	C10H15BrO
Molecular Weight	231.1295
SMILES	C[C@@]12C(C)(C)[C@@]([C@H](Br)C1=O)(CC2)[H]
UNII	E6SHQ2AT1P
Synonyms	10293-06-8, UNII-E6SHQ2AT1P, (1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, E6SHQ2AT1P, CAMPHOR, MONOBROMATED, 2-Bornanone, 3-bromo-, (1R,3S,4S)-(+)-, Endo-3-bromo-D-camphor, Camphor, 3-bromo-, d-, bromocamphor, Camphor, 3-alpha-bromo-, (+)-, 3-Bromo-d-camphor, EINECS 233-652-1, d-alpha-Bromocamphor, 3-Bromobornan-2-one, BRN 3603833, (1R,3S,4S)-(+)-3-Bromo-2-bornanone, 3-Bromocamphor, (+)-, (1R-endo)-3-Bromo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one, [1(r)-endo]-(+)-3-bromocamphor, EINECS 200-950-8, Bicyclo(2.2.1)heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1R-endo)-, MFCD00003744, NSC 26355, alpha-Bromocamphor, 2-Bornanone, 3-bromo- (7CI,8CI), AC1LAFEU, AC1OC2LL, (+)-3-endo-bromocamphor, Camphor, monobromated [USP], (1R,3S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, Camphor, 3-bromo- (6CI), endo-(1R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, CHEMBL2106181, DTXSID2022252, SCHEMBL15823800, (1R-endo)-(+)-3-Bromocamphor, ZINC507383, ANW-64036, AKOS016003748, SC-77391, TC-152781, (1R,3S,4S)-3-bromo-1,7,7-trimethyl-norbornan-2-one, UNII-NAY429URSN component NJQADTYRAYFBJN-FWWHASMVSA-N, (+)-3-Bromocamphor, purum, >=97.0% (sum of enantiomers, GC), (1R,2S,4S)-2-bromo-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one, (1S,2S,4R)-2-bromo-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one, (+)-3-Bromocamphor, Camphor bromide, 3-Bromocamphor, 3-Bromo-2-bornanone, UNII-NAY429URSN, NAY429URSN, C10H15BrO, TETRAHYDROXYSUCCINIC ACID, C10-H15-Br-O, CID512864, ( )-3-Bromocamphor, 98% - 100G 100g, 3-Bromo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one, Bicyclo(2.2.1)heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1R-endo)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, 76-29-9,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	230.031g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.133g/mol
Monoisotopic Mass	230.031g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

Lot Number